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Details

Stereochemistry RACEMIC
Molecular Formula C19H29NO3
Molecular Weight 319.4385
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-DIHYDROTETRABENAZINE

SMILES

COC1=CC2=C(C=C1OC)[C@H]3C[C@H](O)[C@H](CC(C)C)CN3CC2

InChI

InChIKey=WEQLWGNDNRARGE-OIISXLGYSA-N
InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H29NO3
Molecular Weight 319.4385
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 Sun Dec 18 13:14:58 UTC 2022
Edited
by admin
on Sun Dec 18 13:14:58 UTC 2022
Record UNII
R2FU181UOU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-DIHYDROTETRABENAZINE
Common Name English
REL-(2R,3S,11BS)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-2H-BENZO(A)QUINOLIZIN-2-OL
Systematic Name English
SD-947
Code English
2H-BENZO(A)QUINOLIZIN-2-OL, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (2R,3S,11BS)-REL-
Systematic Name English
CIS (2,3)-DIHYDRO TETRABENAZINE
Common Name English
(±)-.BETA.-HTBZ
Common Name English
TETRABENAZINE METABOLITE M5
Common Name English
.BETA.-HTBZ
Common Name English
Code System Code Type Description
CAS
113627-25-1
Created by admin on Sun Dec 18 13:14:58 UTC 2022 , Edited by admin on Sun Dec 18 13:14:58 UTC 2022
PRIMARY
FDA UNII
R2FU181UOU
Created by admin on Sun Dec 18 13:14:58 UTC 2022 , Edited by admin on Sun Dec 18 13:14:58 UTC 2022
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> METABOLITE ACTIVE