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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H38N3O7P
Molecular Weight 631.6552
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EFONIDIPINE, (R)-

SMILES

CC1=C([C@@H](C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P3(=O)OCC(C)(C)CO3)C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=NSVFSAJIGAJDMR-WJOKGBTCSA-N
InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H38N3O7P
Molecular Weight 631.6552
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: O54898
Gene ID: NA
Gene Symbol: Cacna1g
Target Organism: Rattus norvegicus (Rat)
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:54:31 UTC 2023
Edited
by admin
on Sat Dec 16 04:54:31 UTC 2023
Record UNII
BF2E1WS195
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EFONIDIPINE, (R)-
Common Name English
EFONIDIPINE (R)-FORM [MI]
Common Name English
(R)-(-)-EFONIDIPINE
Common Name English
3-PYRIDINECARBOXYLIC ACID, 5-(5,5-DIMETHYL-2-OXIDO-1,3,2-DIOXAPHOSPHORINAN-2-YL)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-(PHENYL(PHENYLMETHYL)AMINO)ETHYL ESTER, (4R)-
Common Name English
EFONIDIPINE, (-)-
Common Name English
3-PYRIDINECARBOXYLIC ACID, 5-(5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-(PHENYL(PHENYLMETHYL)AMINO)ETHYL ESTER, P-OXIDE, (R)-
Common Name English
Code System Code Type Description
CAS
762230-50-2
Created by admin on Sat Dec 16 04:54:31 UTC 2023 , Edited by admin on Sat Dec 16 04:54:31 UTC 2023
SUPERSEDED
CHEBI
146219
Created by admin on Sat Dec 16 04:54:31 UTC 2023 , Edited by admin on Sat Dec 16 04:54:31 UTC 2023
PRIMARY
FDA UNII
BF2E1WS195
Created by admin on Sat Dec 16 04:54:31 UTC 2023 , Edited by admin on Sat Dec 16 04:54:31 UTC 2023
PRIMARY
PUBCHEM
9830707
Created by admin on Sat Dec 16 04:54:31 UTC 2023 , Edited by admin on Sat Dec 16 04:54:31 UTC 2023
PRIMARY
CAS
128194-13-8
Created by admin on Sat Dec 16 04:54:31 UTC 2023 , Edited by admin on Sat Dec 16 04:54:31 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER