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Aminobenzoic acids and derivatives

Organic compounds that consist of a benzene ring substituted with amino and carboxyl groups. Includes compounds that are derived from aminobenzoic acids.

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1

3-Aminobenzoic acid, 99+%

CAS: 99-05-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007795 InChI Key: XFDUHJPVQKIXHO-UHFFFAOYSA-N Synonym: m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u PubChem CID: 7419 ChEBI: CHEBI:42682 IUPAC Name: 3-aminobenzoic acid SMILES: C1=CC(=CC(=C1)N)C(=O)O

PubChem CID 7419
CAS 99-05-8
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:42682
MDL Number MFCD00007795
SMILES C1=CC(=CC(=C1)N)C(=O)O
Synonym m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u
IUPAC Name 3-aminobenzoic acid
InChI Key XFDUHJPVQKIXHO-UHFFFAOYSA-N
Molecular Formula C7H7NO2
2

4-Aminobenzoic Acid, 99%

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
3

3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), water <4%

CAS: 3119-15-1 Molecular Formula: C7H3I3NNaO2 Molecular Weight (g/mol): 536.81 MDL Number: MFCD00007681 InChI Key: CTXRMWPLTDAHOR-UHFFFAOYSA-M Synonym: unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid PubChem CID: 18387 IUPAC Name: 3-amino-2,4,6-triiodobenzoic acid SMILES: [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I

PubChem CID 18387
CAS 3119-15-1
Molecular Weight (g/mol) 536.81
MDL Number MFCD00007681
SMILES [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I
Synonym unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid
IUPAC Name 3-amino-2,4,6-triiodobenzoic acid
InChI Key CTXRMWPLTDAHOR-UHFFFAOYSA-M
Molecular Formula C7H3I3NNaO2
4

Thermo Scientific Chemicals Flufenamic acid, 97%

CAS: 530-78-9 Molecular Formula: C14H10F3NO2 Molecular Weight (g/mol): 281.22 MDL Number: MFCD00002422 InChI Key: LPEPZBJOKDYZAD-UHFFFAOYSA-N Synonym: flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene PubChem CID: 3371 ChEBI: CHEBI:42638 IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F

PubChem CID 3371
CAS 530-78-9
Molecular Weight (g/mol) 281.22
ChEBI CHEBI:42638
MDL Number MFCD00002422
SMILES C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
Synonym flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene
IUPAC Name 2-[3-(trifluoromethyl)anilino]benzoic acid
InChI Key LPEPZBJOKDYZAD-UHFFFAOYSA-N
Molecular Formula C14H10F3NO2
5

N-Phenylanthranilic acid, 98%

CAS: 91-40-7 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.24 MDL Number: MFCD00002421 InChI Key: ZWJINEZUASEZBH-UHFFFAOYSA-N Synonym: n-phenylanthranilic acid,2-phenylamino benzoic acid,fenamic acid,diphenylamine-2-carboxylic acid,phenylanthranilic acid,2-carboxydiphenylamine,benzoic acid, 2-phenylamino,o-anilinobenzoic acid,n-phenyl-o-aminobenzoic acid,n-phenyl-2-aminobenzoic acid PubChem CID: 4386 ChEBI: CHEBI:34756 IUPAC Name: 2-anilinobenzoic acid SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O

PubChem CID 4386
CAS 91-40-7
Molecular Weight (g/mol) 213.24
ChEBI CHEBI:34756
MDL Number MFCD00002421
SMILES C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
Synonym n-phenylanthranilic acid,2-phenylamino benzoic acid,fenamic acid,diphenylamine-2-carboxylic acid,phenylanthranilic acid,2-carboxydiphenylamine,benzoic acid, 2-phenylamino,o-anilinobenzoic acid,n-phenyl-o-aminobenzoic acid,n-phenyl-2-aminobenzoic acid
IUPAC Name 2-anilinobenzoic acid
InChI Key ZWJINEZUASEZBH-UHFFFAOYSA-N
Molecular Formula C13H11NO2
6

Diclofenac Carboxylic Acid (Diclofenac Metabolite), TRC

CAS: 13625-57-5 Molecular Formula: C13 H9 Cl2 N O2 Molecular Weight (g/mol): 282.12 Synonym: 2-(2,6-Dichlorophenylamino)benzoic Acid IUPAC Name: 2-(2,6-dichloroanilino)benzoic acid SMILES: OC(=O)c1ccccc1Nc2c(Cl)cccc2Cl

CAS 13625-57-5
Molecular Weight (g/mol) 282.12
SMILES OC(=O)c1ccccc1Nc2c(Cl)cccc2Cl
Synonym 2-(2,6-Dichlorophenylamino)benzoic Acid
IUPAC Name 2-(2,6-dichloroanilino)benzoic acid
Molecular Formula C13 H9 Cl2 N O2
7

5-Aminosalicylic acid, 99%

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

PubChem CID 4075
CAS 89-57-6
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:6775
MDL Number MFCD00007877
SMILES C1=CC(=C(C=C1N)C(=O)O)O
Synonym 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
8

3,5-Diaminobenzoic acid, 98%

CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

PubChem CID 12062
CAS 535-87-5
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007807
SMILES C1=C(C=C(C=C1N)N)C(=O)O
Synonym benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid
IUPAC Name 3,5-diaminobenzoic acid
InChI Key UENRXLSRMCSUSN-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
9

2-Amino-5-bromobenzoic acid, 97%

CAS: 5794-88-7 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007823 InChI Key: CUKXRHLWPSBCTI-UHFFFAOYSA-N Synonym: 5-bromoanthranilic acid,benzoic acid, 2-amino-5-bromo,anthranilic acid, 5-bromo,2-amino-5-bromo-benzoic acid,5-bromo-2-aminobenzoic acid,2-amino-5-bromobenzoicacid,2-amino-5-bromo benzoic acid,5-bromo anthranilic acid,buttpark 89\07-49,5-bromo-2-amino-benzoic acid PubChem CID: 79858 IUPAC Name: 2-amino-5-bromobenzoic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)N

PubChem CID 79858
CAS 5794-88-7
Molecular Weight (g/mol) 216.03
MDL Number MFCD00007823
SMILES C1=CC(=C(C=C1Br)C(=O)O)N
Synonym 5-bromoanthranilic acid,benzoic acid, 2-amino-5-bromo,anthranilic acid, 5-bromo,2-amino-5-bromo-benzoic acid,5-bromo-2-aminobenzoic acid,2-amino-5-bromobenzoicacid,2-amino-5-bromo benzoic acid,5-bromo anthranilic acid,buttpark 89\07-49,5-bromo-2-amino-benzoic acid
IUPAC Name 2-amino-5-bromobenzoic acid
InChI Key CUKXRHLWPSBCTI-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
10

4-Dimethylaminobenzoic acid, 98%

CAS: 619-84-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O

PubChem CID 12092
CAS 619-84-1
Molecular Weight (g/mol) 165.19
MDL Number MFCD00002537
SMILES CN(C)C1=CC=C(C=C1)C(=O)O
Synonym 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid
IUPAC Name 4-(dimethylamino)benzoic acid
InChI Key YDIYEOMDOWUDTJ-UHFFFAOYSA-N
Molecular Formula C9H11NO2
11

Nafamostat Mesylate, TRC

CAS: 82956-11-4 Molecular Formula: C19 H17 N5 O2 . 2 C H4 O3 S Molecular Weight (g/mol): 539.58 IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate;methanesulfonic acid SMILES: CS(=O)(=O)O.CS(=O)(=O)O.NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N

CAS 82956-11-4
Molecular Weight (g/mol) 539.58
SMILES CS(=O)(=O)O.CS(=O)(=O)O.NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N
IUPAC Name (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate;methanesulfonic acid
Molecular Formula C19 H17 N5 O2 . 2 C H4 O3 S
12

Amisulpride, TRC

CAS: 71675-85-9 Molecular Formula: C17 H27 N3 O4 S Molecular Weight (g/mol): 369.48 Synonym: Amisulpride,4-Amino-N-[[(2RS)-1-ethylpyrrolidin-2-yl]methyl]-5-(ethylsulfonyl)-2-methoxybenzamide IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide SMILES: CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC

CAS 71675-85-9
Molecular Weight (g/mol) 369.48
SMILES CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC
Synonym Amisulpride,4-Amino-N-[[(2RS)-1-ethylpyrrolidin-2-yl]methyl]-5-(ethylsulfonyl)-2-methoxybenzamide
IUPAC Name 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
Molecular Formula C17 H27 N3 O4 S
13

S-Desethyl S-Methyl Amisulpride, TRC

CAS: 71676-00-1 Molecular Formula: C16 H25 N3 O4 S Molecular Weight (g/mol): 355.45 Synonym: 4-Amino-N-[[(2RS)-1-ethyl-pyrrolidin-2-yl]methyl]-2-methoxy-5-(methylsulphonyl)benzamide,Amisulpride Imp. D (EP) IUPAC Name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-methylsulfonylbenzamide SMILES: CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)C

CAS 71676-00-1
Molecular Weight (g/mol) 355.45
SMILES CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)C
Synonym 4-Amino-N-[[(2RS)-1-ethyl-pyrrolidin-2-yl]methyl]-2-methoxy-5-(methylsulphonyl)benzamide,Amisulpride Imp. D (EP)
IUPAC Name 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-methylsulfonylbenzamide
Molecular Formula C16 H25 N3 O4 S
14

Des-4-fluorobenzyl Mosapride, TRC

CAS: 152013-26-8 Molecular Formula: C14 H20 Cl N3 O3 Molecular Weight (g/mol): 313.78 Synonym: Benzamide, 4-amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)-,Benzamide, 4-amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)-, (±)-,4-Amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)benzamide,Des-4-fluorobenzyl mosapride,Des-p-fluorobenzyl mosapride IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide SMILES: CCOc1cc(N)c(Cl)cc1C(=O)NCC2CNCCO2

CAS 152013-26-8
Molecular Weight (g/mol) 313.78
SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC2CNCCO2
Synonym Benzamide, 4-amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)-,Benzamide, 4-amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)-, (±)-,4-Amino-5-chloro-2-ethoxy-N-(2-morpholinylmethyl)benzamide,Des-4-fluorobenzyl mosapride,Des-p-fluorobenzyl mosapride
IUPAC Name 4-amino-5-chloro-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
Molecular Formula C14 H20 Cl N3 O3
15

Metoclopramide N-Oxide, TRC

CAS: 171367-22-9 Molecular Formula: C14 H22 Cl N3 O3 Molecular Weight (g/mol): 315.8 Synonym: N'-(4-Amino-5-chloro-2-methoxybenzoyl)-N,N-diethylethane-1,2-diamine N-Oxide,Metoclopramide Imp. G (EP),Metoclopramide N-Oxide IUPAC Name: 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide SMILES: CC[N+]([O-])(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC

CAS 171367-22-9
Molecular Weight (g/mol) 315.8
SMILES CC[N+]([O-])(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Synonym N'-(4-Amino-5-chloro-2-methoxybenzoyl)-N,N-diethylethane-1,2-diamine N-Oxide,Metoclopramide Imp. G (EP),Metoclopramide N-Oxide
IUPAC Name 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide
Molecular Formula C14 H22 Cl N3 O3