PAB

4-AMINOBENZOIC ACID

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of PAB
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Chemical Component Summary

Name4-AMINOBENZOIC ACID
Systematic Name (OpenEye OEToolkits)4-aminobenzoic acid
FormulaC7 H7 N O2
Molecular Weight137.136
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1ccc(N)cc1
SMILESCACTVS3.341Nc1ccc(cc1)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)O)N
Canonical SMILESCACTVS3.341 Nc1ccc(cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C(=O)O)N
InChIInChI1.03 InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyInChI1.03 ALYNCZNDIQEVRV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02362 
NameAminobenzoic acid
Groups
  • approved
  • experimental
DescriptionA member of the vitamin B complex. It used to be common in sunscreening agents until found to also be a sensitizer. The potassium salt is used therapeutically in fibrotic skin disorders.
Synonyms
  • Aminobenzoic acid
  • 4-aminobenzoic acid
  • 4-Carboxyaniline
  • Aminobenzoate potassium
  • p-Aminobenzoic acid
Brand Names
  • Potaba Cap 0.5gm
  • Potaba Pwr 2gm/pck
  • Neutral C + Coenzyme Q10 Plus Vitamins & Minerals
  • Potaba Tab 0.5gm
  • Presun 15 Lotion
Categories
  • 4-Aminobenzoic Acid
  • Acids, Carbocyclic
  • Aminobenzoates
  • Benzene Derivatives
  • Benzoates
ATC-Code
  • D02BA01
  • D11AX23
CAS number150-13-0

Drug Targets

NameTarget SequencePharmacological ActionActions
p-hydroxybenzoate hydroxylaseMKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGVLEQ...unknownsubstrate
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7057990, 978
ChEMBL CHEMBL542
ChEBI CHEBI:30753
CCDC/CSD AMBNAC18, AMBNAC16, DACBIW, AMBNAC12, AMBNAC14, ENAGIK, AMBNAC17, AMBNAC15, FEXSEJ, EZIDOH, ABULIU, AKOCIO, COFCEF10, BEYZIQ, AMBNAC19, DOMHAQ, ACUDEK, AMBNAC04, AMBNAC13, AMBNAC09, AMBNAC07, ACUDEK01, FUBRAY, AMBNAC08, EZOLIQ, DAQYUQ, DAQZAX, DAQYOK, AMBNAC06, FOFJAO, AMBNAC01, FOFJAO01, DIVTAD, FINJAO, EYUSEZ
COD 2020280, 2240404, 1543129, 2205712, 7227179, 2019489, 7218609, 7218610, 2016127, 4510102, 2211332