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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O7
Molecular Weight 418.4403
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COCCOC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)OC(C)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 418.4403
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
91150Y74PE
Record Status Validated (UNII)
Record Version