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Substance Name: Capobenate Sodium [USAN]
RN: 27276-25-1
UNII: 505434F98H
InChIKey: SNOOUWRIMMFWNE-UHFFFAOYSA-M

Classification Codes

  • Cardiac Depressant (Anti-Arrhythmic)
  • Drug / Therapeutic Agent

Molecular Formulas

  • C16-H22-N-Na-O6
  • C16-H22-N-O6.Na
  • C16-H23-N-O6.Na

Molecular Weight

  • 347.341
 
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Names and Synonyms

Name of Substance

  • Capobenate acid sodium salt
  • Capobenate Sodium [USAN]

Synonyms

  • 6-((3,4,5-Trimethoxybenzoyl)amino)hexanoic acid sodium salt
  • C 3
  • C-3
  • C-3 sodium salt
  • C3
  • Capben
  • Capobenate sodium
  • EINECS 248-381-4
  • epsilon-(3,4,5-Trimethoxybenzamido)caproic acid sodium salt
  • epsilon-(3,4,5-Trimethoxybenzamido)capronsaeure natrium
  • epsilon-(3,4,5-Trimethoxybenzamido)capronsaeure natrium [German]
  • Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-, monosodium salt
  • Sodium 6-(3,4,5-trimethoxybenzamido)hexanoate
  • UNII-505434F98H

Systematic Names

  • Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-, monosodium salt
  • Hexanoic acid, 6-(3,4,5-trimethoxybenzamido)-, monosodium salt
  • Sodium 6-(3,4,5-trimethoxybenzamido)hexanoate

Registry Numbers

CAS Registry Number

  • 27276-25-1

FDA UNII

  • 505434F98H

System Generated Number

  • 0027276251

Molecular Formulas

Molecular Formulas

  • C16-H22-N-Na-O6
  • C16-H22-N-O6.Na
  • C16-H23-N-O6.Na

Molecular Formula Fragments

  • C16-H22-N-O6
  • C16-H23-N-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H23NO6.Na/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);/q;+1/p-1

InChIKey

SNOOUWRIMMFWNE-UHFFFAOYSA-M

Smiles

c1(c(cc(C(NCCCCCC(=O)[O-])=O)cc1OC)OC)OC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #3697563,
mouse LD50 oral 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #3697563,
mouse LDLo intraperitoneal 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3697563,
rat LD50 intraperitoneal 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #3697563,