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Details

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

SHOW SMILES / InChI
Structure of DIHYDROTETRABENAZINE, (2R,3S,11BS)-

SMILES

[H][C@@]12C[C@@H](O)[C@@H](CC(C)C)CN1CCC3=C2C=C(OC)C(OC)=C3

InChI

InChIKey=WEQLWGNDNRARGE-BHYGNILZSA-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+/m0/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 Sat Dec 16 13:38:41 UTC 2023
Edited
by admin
on Sat Dec 16 13:38:41 UTC 2023
Record UNII
TDG3R6D9Z7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROTETRABENAZINE, (2R,3S,11BS)-
Common Name English
(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
(2R,3S,11BS)-DIHYDROTETRABENAZINE
Common Name English
(-)-.BETA.-DIHYDROTETRABENAZINE
Common Name English
2H-BENZO(A)QUINOLIZIN-2-OL, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (2R,3S,11BS)-
Systematic Name English
(-)-.BETA.-HTBZ
Common Name English
Code System Code Type Description
CAS
924854-62-6
Created by admin on Sat Dec 16 13:38:41 UTC 2023 , Edited by admin on Sat Dec 16 13:38:41 UTC 2023
PRIMARY
FDA UNII
TDG3R6D9Z7
Created by admin on Sat Dec 16 13:38:41 UTC 2023 , Edited by admin on Sat Dec 16 13:38:41 UTC 2023
PRIMARY
PUBCHEM
46781318
Created by admin on Sat Dec 16 13:38:41 UTC 2023 , Edited by admin on Sat Dec 16 13:38:41 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER