U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H29NO3
Molecular Weight 325.4754
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-D6-.BETA.-DIHYROTETRABENAZINE

SMILES

[2H]C([2H])([2H])OC1=C(OC([2H])([2H])[2H])C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1

InChI

InChIKey=WEQLWGNDNRARGE-RXXFDNCFSA-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/i3D3,4D3

HIDE SMILES / InChI

Molecular Formula C19H29NO3
Molecular Weight 325.4754
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 13:40:42 GMT 2023
Edited
by admin
on Sat Dec 16 13:40:42 GMT 2023
Record UNII
USP5T6GX5X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-D6-.BETA.-DIHYROTETRABENAZINE
Common Name English
(2R,3S,11BS)-3-ISOBUTYL-9,10-BIS(METHOXY-D3)-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A)ISOQUINOLIN-2-OL
Systematic Name English
(-)-D6-.BETA.-HTBZ
Common Name English
(-)-.BETA.-DIHYROTETRABENAZINE-D6
Common Name English
(2R,3S,11BS)-DIHYDROTETRABENAZINE-D6
Common Name English
Code System Code Type Description
FDA UNII
USP5T6GX5X
Created by admin on Sat Dec 16 13:40:43 GMT 2023 , Edited by admin on Sat Dec 16 13:40:43 GMT 2023
PRIMARY
PUBCHEM
146014916
Created by admin on Sat Dec 16 13:40:43 GMT 2023 , Edited by admin on Sat Dec 16 13:40:43 GMT 2023
PRIMARY
CAS
1583277-33-1
Created by admin on Sat Dec 16 13:40:43 GMT 2023 , Edited by admin on Sat Dec 16 13:40:43 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER