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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.-DIHYDROTETRABENAZINE

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-HAXSNHTFSA-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/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 13:55:31 UTC 2023
Edited
by admin
on Sat Dec 16 13:55:31 UTC 2023
Record UNII
2CXV3FQ52L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-D6-.BETA.-DIHYDROTETRABENAZINE
Common Name English
(+)-.BETA.-HTBZ
Common Name English
(2S,3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-2H-BENZO(A)QUINOLIZIN-2-OL
Systematic Name English
2H-BENZO(A)QUINOLIZIN-2-OL, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-, (2S,3R,11BR)-
Systematic Name English
(+)-.BETA.-DIHYDROTETRABENAZINE-D6
Common Name English
Code System Code Type Description
CAS
1583277-32-0
Created by admin on Sat Dec 16 13:55:31 UTC 2023 , Edited by admin on Sat Dec 16 13:55:31 UTC 2023
PRIMARY
PUBCHEM
76973985
Created by admin on Sat Dec 16 13:55:31 UTC 2023 , Edited by admin on Sat Dec 16 13:55:31 UTC 2023
PRIMARY
FDA UNII
2CXV3FQ52L
Created by admin on Sat Dec 16 13:55:31 UTC 2023 , Edited by admin on Sat Dec 16 13:55:31 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER