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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H56N2O4
Molecular Weight 580.8408
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAGAPAMIL, (S)-

SMILES

CCCCCCCCCCCC[C@@](CCCN(C)CCC1=CC=CC(OC)=C1)(C#N)C2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=BGCVNLXQFOHWMO-PSXMRANNSA-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/t36-/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H56N2O4
Molecular Weight 580.8408
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:58 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:58 GMT 2023
Record UNII
10C50U57E2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DAGAPAMIL, (S)-
Common Name English
BENZENEACETONITRILE, .ALPHA.-DODECYL-3,4,5-TRIMETHOXY-.ALPHA.-(3-((2-(3-METHOXYPHENYL)ETHYL)METHYLAMINO)PROPYL)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76957804
Created by admin on Sat Dec 16 11:08:58 GMT 2023 , Edited by admin on Sat Dec 16 11:08:58 GMT 2023
PRIMARY
FDA UNII
10C50U57E2
Created by admin on Sat Dec 16 11:08:58 GMT 2023 , Edited by admin on Sat Dec 16 11:08:58 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER