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

Details

Stereochemistry RACEMIC
Molecular Formula C36H56N2O4
Molecular Weight 580.8408
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAGAPAMIL

SMILES

CCCCCCCCCCCCC(CCCN(C)CCC1=CC=CC(OC)=C1)(C#N)C2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=BGCVNLXQFOHWMO-UHFFFAOYSA-N
InChI=1S/C36H56N2O4/c1-7-8-9-10-11-12-13-14-15-16-22-36(29-37,31-27-33(40-4)35(42-6)34(28-31)41-5)23-18-24-38(2)25-21-30-19-17-20-32(26-30)39-3/h17,19-20,26-28H,7-16,18,21-25H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C36H56N2O4
Molecular Weight 580.8408
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Dagapamil is a calcium-channel blocker, discovered by BASF. The compound is claimed to have antihypertensive, antiarrhythmic, cardioprotective, antiallergic and platelet aggregation-inhibiting action in animal models.

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:16:22 GMT 2023
Edited
by admin
on Fri Dec 15 16:16:22 GMT 2023
Record UNII
64O87U613H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAGAPAMIL
INN  
INN  
Official Name English
2-(3-((M-METHOXYPHENETHYL)METHYLAMINO)PROPYL)-2-(3,4,5-TRIMETHOXYPHENYL)TETRADECANENITRILE
Systematic Name English
(±)-DAGAPAMIL
Common Name English
DAGAPAMIL, (±)-
Common Name English
dagapamil [INN]
Common Name English
BENZENEACETONITRILE, .ALPHA.-DODECYL-3,4,5-TRIMETHOXY-.ALPHA.-(3-((2-(3-METHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C333
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
Code System Code Type Description
SMS_ID
100000084013
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID80868882
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
PUBCHEM
205957
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
FDA UNII
64O87U613H
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
EVMPD
SUB06888MIG
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
CAS
85247-76-3
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104236
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
NCI_THESAURUS
C81681
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
INN
5606
Created by admin on Fri Dec 15 16:16:22 GMT 2023 , Edited by admin on Fri Dec 15 16:16:22 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY