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Details

Stereochemistry ACHIRAL
Molecular Formula C16H22NO6.Na
Molecular Weight 347.3387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPOBENATE SODIUM

SMILES

[Na+].COC1=CC(=CC(OC)=C1OC)C(=O)NCCCCCC([O-])=O

InChI

InChIKey=SNOOUWRIMMFWNE-UHFFFAOYSA-M
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

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H22NO6
Molecular Weight 324.349
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Cardobiol

Approved Use

Treatment of cardiac infarction
PubMed

PubMed

TitleDatePubMed
[Therapy of myocardial infarct with 3,4,5-trimethoxy-benzoyl-amino-caproic acid or C-3. Observations on 60 cases studied in an intensive coronary care unit].
1973 Apr
[Effect of 3,4,5-trimethoxy-benzoyl-aminocaproic acid on the cytolytic process in myocardial infarct. Working hypothesis].
1975 Dec 5
Patents

Sample Use Guides

LD50 i.p. in rats: 2.5 g/kg
Route of Administration: Intraperitoneal
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:42:16 GMT 2023
Edited
by admin
on Fri Dec 15 17:42:16 GMT 2023
Record UNII
505434F98H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPOBENATE SODIUM
USAN  
USAN  
Official Name English
CAPOBENATE SODIUM [USAN]
Common Name English
CAPOBENIC ACID SODIUM SALT [MI]
Common Name English
HEXANOIC ACID, 6-((3,4,5-TRIMETHOXYBENZOYL)AMINO)-, MONOSODIUM SALT
Common Name English
Sodium 6-(3,4,5-trimethoxybenzamido)hexanoate
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
Code System Code Type Description
FDA UNII
505434F98H
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID80181725
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
CAS
27276-25-1
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
ChEMBL
CHEMBL1418182
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
PUBCHEM
23681154
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
NCI_THESAURUS
C79711
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-381-4
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY
MERCK INDEX
m618
Created by admin on Fri Dec 15 17:42:16 GMT 2023 , Edited by admin on Fri Dec 15 17:42:16 GMT 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE