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Details

Stereochemistry RACEMIC
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-.ALPHA.-DIHYDROTETRABENAZINE

SMILES

[2H]C([2H])([2H])OC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1

InChI

InChIKey=NNGHNWCGIHBKHE-NPPLBYTGSA-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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:55:31 UTC 2023
Edited
by admin
on Sat Dec 16 13:55:31 UTC 2023
Record UNII
Q7Y0EXS7GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D3-9-O-DESMETHYL-.ALPHA.-DIHYDROTETRABENAZINE
Common Name English
2H-BENZO(A)QUINOLIZINE-2,9-DIOL, 1,3,4,6,7,11B-HEXAHYDRO-10-(METHOXY-D3)-3-(2-METHYLPROPYL)-, (2R,3R,11BR)-REL-
Systematic Name English
SD-975
Code English
D3-9-O-DESMETHYL-.ALPHA.-HTBZ
Common Name English
Code System Code Type Description
PUBCHEM
146014889
Created by admin on Sat Dec 16 13:55:32 UTC 2023 , Edited by admin on Sat Dec 16 13:55:32 UTC 2023
PRIMARY
FDA UNII
Q7Y0EXS7GL
Created by admin on Sat Dec 16 13:55:32 UTC 2023 , Edited by admin on Sat Dec 16 13:55:32 UTC 2023
PRIMARY
CAS
1977511-07-1
Created by admin on Sat Dec 16 13:55:32 UTC 2023 , Edited by admin on Sat Dec 16 13:55:32 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> METABOLITE