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Benzamides

Benzamides

Aromatic organic compounds that consists of a benzene ring substituted by an amide functional group. Includes benzamides with additional substitutions.
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1 – 15 of 51 results
1

4-Aminohippuric acid, 99%, Thermo Scientific Chemicals

CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

PubChem CID 2148
CAS 61-78-9
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:104011
MDL Number MFCD00007890
SMILES C1=CC(=CC=C1C(=O)NCC(=O)O)N
Synonym 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine
IUPAC Name 2-[(4-aminobenzoyl)amino]acetic acid
InChI Key HSMNQINEKMPTIC-UHFFFAOYSA-N
2

N-Benzylbenzamide, 99%, Thermo Scientific Chemicals

CAS: 1485-70-7 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.26 MDL Number: MFCD00003070 InChI Key: LKQUCICFTHBFAL-UHFFFAOYSA-N Synonym: benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa PubChem CID: 73878 IUPAC Name: N-benzylbenzamide SMILES: O=C(NCC1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 73878
CAS 1485-70-7
Molecular Weight (g/mol) 211.26
MDL Number MFCD00003070
SMILES O=C(NCC1=CC=CC=C1)C1=CC=CC=C1
Synonym benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa
IUPAC Name N-benzylbenzamide
InChI Key LKQUCICFTHBFAL-UHFFFAOYSA-N
Molecular Formula C14H13NO
3

Anthranilamide, 99+%, Thermo Scientific Chemicals

CAS: 88-68-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Synonym: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N

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PubChem CID 6942
CAS 88-68-6
Molecular Weight (g/mol) 136.15
MDL Number MFCD00007981
SMILES C1=CC=C(C(=C1)C(=O)N)N
Synonym anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van
IUPAC Name 2-aminobenzamide
InChI Key PXBFMLJZNCDSMP-UHFFFAOYSA-N
Molecular Formula C7H8N2O
4

2-Hydroxyhippuric acid, 95%, Thermo Scientific Chemicals

CAS: 487-54-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00002695 InChI Key: ONJSZLXSECQROL-UHFFFAOYSA-N Synonym: salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine PubChem CID: 10253 ChEBI: CHEBI:9008 IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1O

PubChem CID 10253
CAS 487-54-7
Molecular Weight (g/mol) 195.17
ChEBI CHEBI:9008
MDL Number MFCD00002695
SMILES OC(=O)CNC(=O)C1=CC=CC=C1O
Synonym salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine
IUPAC Name 2-[(2-hydroxybenzoyl)amino]acetic acid
InChI Key ONJSZLXSECQROL-UHFFFAOYSA-N
Molecular Formula C9H9NO4
5

Sodium hippurate, 96%, Thermo Scientific Chemicals

CAS: 532-94-5 Molecular Formula: C9H8NNaO3 Molecular Weight (g/mol): 201.157 MDL Number: MFCD00002693 InChI Key: ZBCAZEFVTIBZJS-UHFFFAOYSA-M Synonym: sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt PubChem CID: 516953 IUPAC Name: sodium;2-benzamidoacetate SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]

PubChem CID 516953
CAS 532-94-5
Molecular Weight (g/mol) 201.157
MDL Number MFCD00002693
SMILES C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]
Synonym sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt
IUPAC Name sodium;2-benzamidoacetate
InChI Key ZBCAZEFVTIBZJS-UHFFFAOYSA-M
Molecular Formula C9H8NNaO3
6

DL-N-Benzoyl-2-methylserine, 98%, Thermo Scientific™

CAS: 7508-82-9 Molecular Formula: C11H13NO4 Molecular Weight (g/mol): 223.23 MDL Number: MFCD01863306 InChI Key: FVWQRKJTTRAXJP-NSHDSACASA-N Synonym: s-2-benzamido-3-hydroxy-2-methylpropanoic acid,n-benzoyl-2-methylserine,2s-2-benzamido-3-hydroxy-2-methylpropanoic acid,s-2-methyl-2-benzoylamino-3-hydroxypropanoic acid,2s-3-hydroxy-2-methyl-2-phenylformamido propanoic acid PubChem CID: 7167581 IUPAC Name: (2S)-2-benzamido-3-hydroxy-2-methylpropanoic acid SMILES: CC(CO)(C(=O)O)NC(=O)C1=CC=CC=C1

PubChem CID 7167581
CAS 7508-82-9
Molecular Weight (g/mol) 223.23
MDL Number MFCD01863306
SMILES CC(CO)(C(=O)O)NC(=O)C1=CC=CC=C1
Synonym s-2-benzamido-3-hydroxy-2-methylpropanoic acid,n-benzoyl-2-methylserine,2s-2-benzamido-3-hydroxy-2-methylpropanoic acid,s-2-methyl-2-benzoylamino-3-hydroxypropanoic acid,2s-3-hydroxy-2-methyl-2-phenylformamido propanoic acid
IUPAC Name (2S)-2-benzamido-3-hydroxy-2-methylpropanoic acid
InChI Key FVWQRKJTTRAXJP-NSHDSACASA-N
Molecular Formula C11H13NO4
7

Methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropionate, 98%, Thermo Scientific Chemicals

CAS: 32981-85-4 Molecular Formula: C17H17NO4 Molecular Weight (g/mol): 299.326 MDL Number: MFCD00673331 InChI Key: UYJLJICUXJPKTB-LSDHHAIUSA-N Synonym: 2r,3s-methyl 3-benzamido-2-hydroxy-3-phenylpropanoate,methyl 2r,3s-3-benzoylamino-2-hydroxy-3-phenylpropanoate,bz-rs-iser 3-ph-ome,benzenepropanoic acid, beta-benzoylamino-alpha-hydroxy-, methyl ester, alphar,betas,methyl 2r,3s-3-benzamido-2-hydroxy-3-phenylpropanoate,2r,3s-n-tert-butoxycarbony-3-phenylisoserine methyl ester,methyl 2r,3s-2-hydroxy-3-phenyl-3-phenylformamido propanoate,pubchem9699,n-benzoyl-2r,3s-3-phenylisoserine methyl ester,methyl 2r,3s-n-benzoylphenylisoserinate PubChem CID: 182104 IUPAC Name: methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate SMILES: COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O

PubChem CID 182104
CAS 32981-85-4
Molecular Weight (g/mol) 299.326
MDL Number MFCD00673331
SMILES COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
Synonym 2r,3s-methyl 3-benzamido-2-hydroxy-3-phenylpropanoate,methyl 2r,3s-3-benzoylamino-2-hydroxy-3-phenylpropanoate,bz-rs-iser 3-ph-ome,benzenepropanoic acid, beta-benzoylamino-alpha-hydroxy-, methyl ester, alphar,betas,methyl 2r,3s-3-benzamido-2-hydroxy-3-phenylpropanoate,2r,3s-n-tert-butoxycarbony-3-phenylisoserine methyl ester,methyl 2r,3s-2-hydroxy-3-phenyl-3-phenylformamido propanoate,pubchem9699,n-benzoyl-2r,3s-3-phenylisoserine methyl ester,methyl 2r,3s-n-benzoylphenylisoserinate
IUPAC Name methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
InChI Key UYJLJICUXJPKTB-LSDHHAIUSA-N
Molecular Formula C17H17NO4
8

Folinic acid, calcium salt pentahydrate, 95.0-105.0%, Thermo Scientific Chemicals

CAS: 6035-45-6 Molecular Formula: C20H21CaN7O7·5H2O Molecular Weight (g/mol): 601.58 MDL Number: MFCD00149465 InChI Key: NPPBLUASYYNAIG-UHFFFAOYSA-L Synonym: folinic acid calcium pentahydrate PubChem CID: 131674093 IUPAC Name: calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate SMILES: C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]

PubChem CID 131674093
CAS 6035-45-6
Molecular Weight (g/mol) 601.58
MDL Number MFCD00149465
SMILES C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]
Synonym folinic acid calcium pentahydrate
IUPAC Name calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate
InChI Key NPPBLUASYYNAIG-UHFFFAOYSA-L
Molecular Formula C20H21CaN7O7·5H2O
9

Potassium 4-(benzylaminocarbonyl)phenyltrifluoroborate, 95%, Thermo Scientific™

CAS: 2017555-07-4 Molecular Formula: C14H12BF3KNO Molecular Weight (g/mol): 317.16 MDL Number: MFCD16293900 InChI Key: RDEFKKXMPRJFFH-UHFFFAOYSA-N Synonym: potassium 4-benzylamino-1-carbonyl phenyl trifluoroborate,potassium 4-benzylcarbamoyl phenyl trifluoroboranuide,amtb218,c14h12bf3no.k,potassium 4-benzylamino-1-carbonyl-phenyl trifluoroborate PubChem CID: 71306520 IUPAC Name: potassium;[4-(benzylcarbamoyl)phenyl]-trifluoroboranuide SMILES: [B-](C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2)(F)(F)F.[K+]

PubChem CID 71306520
CAS 2017555-07-4
Molecular Weight (g/mol) 317.16
MDL Number MFCD16293900
SMILES [B-](C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2)(F)(F)F.[K+]
Synonym potassium 4-benzylamino-1-carbonyl phenyl trifluoroborate,potassium 4-benzylcarbamoyl phenyl trifluoroboranuide,amtb218,c14h12bf3no.k,potassium 4-benzylamino-1-carbonyl-phenyl trifluoroborate
IUPAC Name potassium;[4-(benzylcarbamoyl)phenyl]-trifluoroboranuide
InChI Key RDEFKKXMPRJFFH-UHFFFAOYSA-N
Molecular Formula C14H12BF3KNO
10

Folic acid dihydrate, 97%, Thermo Scientific Chemicals

CAS: 75708-92-8 Molecular Formula: C19H23N7O8 Molecular Weight (g/mol): 477.434 MDL Number: MFCD00079305 InChI Key: ODYNNYOEHBJUQP-LTCKWSDVSA-N Synonym: folic acid dihydrate,unii-0s1t5c0jzl,0s1t5c0jzl,pubchem18447,l-glutamic acid, n-4-2-amino-1,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, dihydrate,l-glutamic acid, n-4-2-amino-3,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, hydrate 1:2,folicacid,vitaminmorvitaminbc,vitaminm,pteglu,2s-2-4-2-amino-4-hydroxypteridin-6-yl methyl amino phenyl formamido pentanedioic acid dihydrate,s-2-4-2-amino-4-oxo-3,4-dihydropteridin-6-yl methyl amino benzamido pentanedioic acid dihydrate PubChem CID: 16211651 IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.O.O

PubChem CID 16211651
CAS 75708-92-8
Molecular Weight (g/mol) 477.434
MDL Number MFCD00079305
SMILES C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.O.O
Synonym folic acid dihydrate,unii-0s1t5c0jzl,0s1t5c0jzl,pubchem18447,l-glutamic acid, n-4-2-amino-1,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, dihydrate,l-glutamic acid, n-4-2-amino-3,4-dihydro-4-oxo-6-pteridinyl methyl amino benzoyl-, hydrate 1:2,folicacid,vitaminmorvitaminbc,vitaminm,pteglu,2s-2-4-2-amino-4-hydroxypteridin-6-yl methyl amino phenyl formamido pentanedioic acid dihydrate,s-2-4-2-amino-4-oxo-3,4-dihydropteridin-6-yl methyl amino benzamido pentanedioic acid dihydrate
IUPAC Name (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate
InChI Key ODYNNYOEHBJUQP-LTCKWSDVSA-N
Molecular Formula C19H23N7O8
11

2-Amino-4-methylbenzamide, Thermo Scientific™

CAS: 39549-79-6 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00221474 InChI Key: RUHKZVAPXHIWJH-UHFFFAOYSA-N Synonym: 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci PubChem CID: 2801474 IUPAC Name: 2-amino-4-methylbenzamide SMILES: CC1=CC(N)=C(C=C1)C(N)=O

PubChem CID 2801474
CAS 39549-79-6
Molecular Weight (g/mol) 150.18
MDL Number MFCD00221474
SMILES CC1=CC(N)=C(C=C1)C(N)=O
Synonym 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci
IUPAC Name 2-amino-4-methylbenzamide
InChI Key RUHKZVAPXHIWJH-UHFFFAOYSA-N
Molecular Formula C8H10N2O
12

2-Aminobenzamide, 98+%, Thermo Scientific Chemicals

CAS: 88-68-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Synonym: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N

PubChem CID 6942
CAS 88-68-6
Molecular Weight (g/mol) 136.154
MDL Number MFCD00007981
SMILES C1=CC=C(C(=C1)C(=O)N)N
Synonym anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van
IUPAC Name 2-aminobenzamide
InChI Key PXBFMLJZNCDSMP-UHFFFAOYSA-N
Molecular Formula C7H8N2O
13

Hippuric acid, 98%, Thermo Scientific Chemicals

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1

PubChem CID 464
CAS 495-69-2
Molecular Weight (g/mol) 179.18
ChEBI CHEBI:18089
MDL Number MFCD00002692
SMILES OC(=O)CNC(=O)C1=CC=CC=C1
Synonym hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure
IUPAC Name 2-benzamidoacetic acid
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
14

5-[[Amino(imino)methyl]amino]-2-(benzoylamino)pentanoic acid, 97%, Thermo Scientific™

CAS: 6453-58-3 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.312 MDL Number: MFCD00063011 InChI Key: RSYYQCDERUOEFI-UHFFFAOYSA-N Synonym: 5-amino imino methyl amino-2-benzoylamino pentanoic acid,5-carbamimidamido-2-phenylformamido pentanoic acid,n2-benzoylarginine,l-arginine, n2-benzoyl,benzoyl-dl-arginine,n-?-benzoyl-l-arginine,2-benzamido-5-guanidinopentanoic acid,2-benzoylamino-5-guanidinovaleric acid,arginine,n2-benzoyl-,monohydrochloride 9ci,2-benzamido-5-diaminomethylideneamino pentanoic acid PubChem CID: 273355 IUPAC Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O

PubChem CID 273355
CAS 6453-58-3
Molecular Weight (g/mol) 278.312
MDL Number MFCD00063011
SMILES C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O
Synonym 5-amino imino methyl amino-2-benzoylamino pentanoic acid,5-carbamimidamido-2-phenylformamido pentanoic acid,n2-benzoylarginine,l-arginine, n2-benzoyl,benzoyl-dl-arginine,n-?-benzoyl-l-arginine,2-benzamido-5-guanidinopentanoic acid,2-benzoylamino-5-guanidinovaleric acid,arginine,n2-benzoyl-,monohydrochloride 9ci,2-benzamido-5-diaminomethylideneamino pentanoic acid
IUPAC Name 2-benzamido-5-(diaminomethylideneamino)pentanoic acid
InChI Key RSYYQCDERUOEFI-UHFFFAOYSA-N
Molecular Formula C13H18N4O3
15

L(+)-Amethopterin hydrate, 99%, Thermo Scientific Chemicals

CAS: 133073-73-1 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.45 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-UGPWUYPHNA-N Synonym: l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate PubChem CID: 45157423 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

PubChem CID 45157423
CAS 133073-73-1
Molecular Weight (g/mol) 454.45
MDL Number MFCD00150847
SMILES CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Synonym l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate
IUPAC Name (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate
InChI Key FBOZXECLQNJBKD-UGPWUYPHNA-N
Molecular Formula C20H22N8O5