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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O7
Molecular Weight 418.4412
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)OC(=O)C1=C(C)NC(=C([C@]1([H])c2cccc(c2)N(=O)=O)C(=O)OCCOC)C

InChI

InChIKey=UIAGMCDKSXEBJQ-IBGZPJMESA-N
InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26N2O7
Molecular Weight 418.4412
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 Jun 26 02:28:45 UTC 2021
Edited
by admin
on Sat Jun 26 02:28:45 UTC 2021
Record UNII
91150Y74PE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIMODIPINE, (S)-
Common Name English
BAY-N-5248
Code English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-METHOXYETHYL 1-METHYLETHYL ESTER, (S)-
Common Name English
(S)-(-)-NIMODIPINE
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-METHOXYETHYL 1-METHYLETHYL ESTER, (4S)-
Common Name English
(S)-NIMODIPINE
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(2-METHOXYETHYL) 5-(1-METHYLETHYL) ESTER, (4S)-
Systematic Name English
(-)-NIMODIPINE
Common Name English
(-)-BAY-E-9736
Code English
Code System Code Type Description
PUBCHEM
157133
Created by admin on Sat Jun 26 02:28:45 UTC 2021 , Edited by admin on Sat Jun 26 02:28:45 UTC 2021
PRIMARY
CAS
77940-93-3
Created by admin on Sat Jun 26 02:28:45 UTC 2021 , Edited by admin on Sat Jun 26 02:28:45 UTC 2021
PRIMARY
EPA CompTox
77940-93-3
Created by admin on Sat Jun 26 02:28:45 UTC 2021 , Edited by admin on Sat Jun 26 02:28:45 UTC 2021
PRIMARY
FDA UNII
91150Y74PE
Created by admin on Sat Jun 26 02:28:45 UTC 2021 , Edited by admin on Sat Jun 26 02:28:45 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER