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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27NO3
Molecular Weight 308.4304
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (+)-D3-9-O-DESMETHYL-.BETA.-DIHYDROTETRABENAZINE

SMILES

[H][C@]12C[C@H](O)[C@H](CC(C)C)CN1CCC3=CC(O)=C(OC([2H])([2H])[2H])C=C23

InChI

InChIKey=NNGHNWCGIHBKHE-DWSRUFIWSA-N
InChI=1S/C18H27NO3/c1-11(2)6-13-10-19-5-4-12-7-17(21)18(22-3)8-14(12)15(19)9-16(13)20/h7-8,11,13,15-16,20-21H,4-6,9-10H2,1-3H3/t13-,15-,16+/m1/s1/i3D3

HIDE SMILES / InChI

Molecular Formula C18H27NO3
Molecular Weight 308.4304
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
FPQ8NVE89F
Record Status Validated (UNII)
Record Version