XP1

4-(DIMETHYLAMINO)BENZOIC ACID

Created:2007-07-19
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of XP1

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Chemical Component Summary

Name4-(DIMETHYLAMINO)BENZOIC ACID
Systematic Name (OpenEye OEToolkits)4-dimethylaminobenzoic acid
FormulaC9 H11 N O2
Molecular Weight165.189
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccc(N(C)C)cc1
SMILESCACTVS3.341CN(C)c1ccc(cc1)C(O)=O
SMILESOpenEye OEToolkits1.5.0CN(C)c1ccc(cc1)C(=O)O
Canonical SMILESCACTVS3.341 CN(C)c1ccc(cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CN(C)c1ccc(cc1)C(=O)O
InChIInChI1.03 InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKeyInChI1.03 YDIYEOMDOWUDTJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB08748 
Name4-(Dimethylamino)benzoic acid
Groups experimental
Synonyms
  • p-Dimethylamino benzoic acid
  • 4-(Dimethylamino)benzoic acid
  • p-N,N-(Dimethylamino)benzoic acid
  • N,N-Dimethyl-4-aminobenzoic acid
  • N,N-Dimethyl-p-aminobenzoic acid
Categories
  • Acids, Carbocyclic
  • Aminobenzoates
  • Benzene Derivatives
  • Benzoates
CAS number619-84-1

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Replicase polyprotein 1abMESLVLGVNEKTHVQLSLPVLQVRDVLVRGFGDSVEEALSEAREHLKNGT...unknown
Orf1a polyproteinMESLVLGVNEKTHVQLSLPVLQVRDVLVRGFGDSVEEALSEAREHLKNGT...unknown
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 12092
ChEMBL CHEMBL112322
CCDC/CSD QUQCUB04, PICDUA, QUQCUB05, PEQPOR, QUQCUB07, PDABZA02, QUQCUB06, TOYHEW, BUFBIP, GAUTAM15, PDABZA01, NUMZON, QUQCUB02, QUQCUB, QUQCUB03
COD 2015130