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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H42N4O6
Molecular Weight 686.7954
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)C1=C(C)NC(C)=C([C@@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OCCC3=CC=C(C=C3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChIKey=OTTHUQAYARCXLP-KXQOOQHDSA-N
InChI=1S/C41H42N4O6/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32/h4-20,27,38-39,42H,21-26H2,1-3H3/t38-/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H42N4O6
Molecular Weight 686.7954
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 10:17:48 GMT 2023
Edited
by admin
on Sat Dec 16 10:17:48 GMT 2023
Record UNII
M65V61N43T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VATANIDIPINE, (R)-
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-(4-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)PHENYL)ETHYL METHYL ESTER, (R)-
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(2-(4-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)PHENYL)ETHYL) 5-METHYL ESTER, (4R)-
Systematic Name English
Code System Code Type Description
CAS
134028-06-1
Created by admin on Sat Dec 16 10:17:48 GMT 2023 , Edited by admin on Sat Dec 16 10:17:48 GMT 2023
PRIMARY
PUBCHEM
9918542
Created by admin on Sat Dec 16 10:17:48 GMT 2023 , Edited by admin on Sat Dec 16 10:17:48 GMT 2023
PRIMARY
FDA UNII
M65V61N43T
Created by admin on Sat Dec 16 10:17:48 GMT 2023 , Edited by admin on Sat Dec 16 10:17:48 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER