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Details

Stereochemistry RACEMIC
Molecular Formula C20H22N2O7
Molecular Weight 402.3979
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, RACEMIC

SHOW SMILES / InChI
Structure of DESISOBUTYL-(2-HYDROXY-2-METHYLPROPYL)-DEHYDRO NISOLDIPINE

SMILES

COC(=O)C1=C(C)N=C(C)C(C(=O)OCC(C)(C)O)=C1C2=C(C=CC=C2)[N+]([O-])=O

InChI

InChIKey=VGHZPGANWLJLMC-UHFFFAOYSA-N
InChI=1S/C20H22N2O7/c1-11-15(18(23)28-5)17(13-8-6-7-9-14(13)22(26)27)16(12(2)21-11)19(24)29-10-20(3,4)25/h6-9,25H,10H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C20H22N2O7
Molecular Weight 402.3979
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
1389F118LV
Record Status Validated (UNII)
Record Version