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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H28N2O
Molecular Weight 408.5358
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARIFENACIN NITRILE, (S)-

SMILES

c1ccc(cc1)C(C#N)(c2ccccc2)[C@]3([H])CCN(CCc4ccc5c(CCO5)c4)C3

InChI

InChIKey=RISTUVDQGDQPPP-AREMUKBSSA-N
InChI=1S/C28H28N2O/c29-21-28(24-7-3-1-4-8-24,25-9-5-2-6-10-25)26-14-17-30(20-26)16-13-22-11-12-27-23(19-22)15-18-31-27/h1-12,19,26H,13-18,20H2/t26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H28N2O
Molecular Weight 408.5358
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 Fri Jun 25 20:48:23 UTC 2021
Edited
by admin
on Fri Jun 25 20:48:23 UTC 2021
Record UNII
B9B7TSE58E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DARIFENACIN NITRILE, (S)-
Common Name English
DARIFENACIN IMPURITY C
Common Name English
(3S)-1-(2-(2,3-DIHYDRO-5-BENZOFURANYL)ETHYL)-.ALPHA.,.ALPHA.-DIPHENYL-3-PYRROLIDINEACETONITRILE
Systematic Name English
3-PYRROLIDINEACETONITRILE, 1-(2-(2,3-DIHYDRO-5-BENZOFURANYL)ETHYL)-.ALPHA.,.ALPHA.-DIPHENYL-, (3S)-
Systematic Name English
DARIFENACIN NITRILE
Common Name English
(S)-DARIFENACIN NITRILE
Common Name English
Code System Code Type Description
CAS
252317-48-9
Created by admin on Fri Jun 25 20:48:23 UTC 2021 , Edited by admin on Fri Jun 25 20:48:23 UTC 2021
PRIMARY
FDA UNII
B9B7TSE58E
Created by admin on Fri Jun 25 20:48:23 UTC 2021 , Edited by admin on Fri Jun 25 20:48:23 UTC 2021
PRIMARY
PUBCHEM
24860221
Created by admin on Fri Jun 25 20:48:23 UTC 2021 , Edited by admin on Fri Jun 25 20:48:23 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT