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Substance Name: Capobenic acid [USAN:INN]
RN: 21434-91-3
UNII: 3R77T835TA
InChIKey: MPTXLVRHYGBOQY-UHFFFAOYSA-N

Classification Code

  • Cardiac Depressant (Anti-Arrhythmic)

Molecular Formula

  • C16-H23-N-O6

Molecular Weight

  • 325.359
 
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Names and Synonyms

Name of Substance

  • Capobenic acid [USAN:INN]

Synonyms

  • 6-(3,4,5-Trimethoxybenzamido) hexanoic acid
  • 6-(3,4,5-Trimethoxybenzamido)hexansaeure
  • Acide capobenique
  • Acide capobenique [INN-French]
  • Acido capobenico
  • Acido capobenico [INN-Spanish]
  • Acidum capobenicum
  • Acidum capobenicum [INN-Latin]
  • C-3
  • Capobenic acid
  • EINECS 244-387-6
  • Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-
  • UNII-3R77T835TA

Systematic Names

  • Capobenic acid
  • Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-

Registry Numbers

CAS Registry Number

  • 21434-91-3

FDA UNII

  • 3R77T835TA

System Generated Number

  • 0021434913

Structure Descriptors

InChI

1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)

InChIKey

MPTXLVRHYGBOQY-UHFFFAOYSA-N

Smiles

c1(c(cc(C(NCCCCCC(O)=O)=O)cc1OC)OC)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 122 deg C   EXP
log P (octanol-water) 1.930 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.