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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29N3O6
Molecular Weight 479.525
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OCCN(C)CC3=CC=CC=C3

InChI

InChIKey=ZBBHBTPTTSWHBA-DEOSSOPVSA-N
InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H29N3O6
Molecular Weight 479.525
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 10:37:21 UTC 2023
Edited
by admin
on Sat Dec 16 10:37:21 UTC 2023
Record UNII
3JT3BYK2JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICARDIPINE, (S)-
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, METHYL 2-(METHYL(PHENYLMETHYL)AMINO)ETHYL ESTER, (S)-
Common Name English
(S)-NICARDIPINE
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-METHYL 5-(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER, (4S)-
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, METHYL 2-(METHYL(PHENYLMETHYL)AMINO)ETHYL ESTER, (4S)-
Common Name English
(-)-NICARDIPINE
Common Name English
Code System Code Type Description
FDA UNII
3JT3BYK2JW
Created by admin on Sat Dec 16 10:37:21 UTC 2023 , Edited by admin on Sat Dec 16 10:37:21 UTC 2023
PRIMARY
CAS
76093-36-2
Created by admin on Sat Dec 16 10:37:21 UTC 2023 , Edited by admin on Sat Dec 16 10:37:21 UTC 2023
PRIMARY
DRUG CENTRAL
5
Created by admin on Sat Dec 16 10:37:21 UTC 2023 , Edited by admin on Sat Dec 16 10:37:21 UTC 2023
PRIMARY
PUBCHEM
6604415
Created by admin on Sat Dec 16 10:37:21 UTC 2023 , Edited by admin on Sat Dec 16 10:37:21 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER