U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H23NO6
Molecular Weight 325.3569
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPOBENIC ACID

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)NCCCCCC(O)=O

InChI

InChIKey=MPTXLVRHYGBOQY-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C16H23NO6
Molecular Weight 325.3569
Charge 0
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
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 15:04:32 GMT 2023
Edited
by admin
on Fri Dec 15 15:04:32 GMT 2023
Record UNII
3R77T835TA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPOBENIC ACID
INN   MART.   MI   USAN  
INN   USAN  
Official Name English
6-(3,4,5-TRIMETHOXYBENZAMIDO)HEXANOIC ACID
Systematic Name English
CAPOBENIC ACID [MART.]
Common Name English
NSC-759126
Code English
CAPOBENIC ACID [MI]
Common Name English
CAPOBENIC ACID [USAN]
Common Name English
NSC-230936
Code English
HEXANOIC ACID, 6-((3,4,5-TRIMETHOXYBENZOYL)AMINO)-
Common Name English
C-3
Code English
capobenic acid [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
Code System Code Type Description
INN
3072
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
DRUG CENTRAL
481
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
NCI_THESAURUS
C80873
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
CAS
21434-91-3
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
MERCK INDEX
m618
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY Merck Index
PUBCHEM
30627
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID3045695
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
ChEMBL
CHEMBL1418182
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
SMS_ID
100000081604
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
NSC
759126
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
FDA UNII
3R77T835TA
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
NSC
230936
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-387-6
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
EVMPD
SUB06077MIG
Created by admin on Fri Dec 15 15:04:32 GMT 2023 , Edited by admin on Fri Dec 15 15:04:32 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY