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Details

Stereochemistry RACEMIC
Molecular Formula C19H27NO3
Molecular Weight 323.4596
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEUTETRABENAZINE, (R,S)-REL-

SMILES

[H][C@]12CC(=O)[C@@H](CC(C)C)CN1CCC3=CC(OC([2H])([2H])[2H])=C(OC([2H])([2H])[2H])C=C23

InChI

InChIKey=MKJIEFSOBYUXJB-XZNUEWKKSA-N
InChI=1S/C19H27NO3/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/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16+/m0/s1/i3D3,4D3

HIDE SMILES / InChI

Molecular Formula C19H27NO3
Molecular Weight 323.4596
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:27:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:27:57 GMT 2023
Record UNII
BT2LV86QKA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEUTETRABENAZINE, (R,S)-REL-
Common Name English
2H-BENZO(A)QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-, (3R,11BS)-REL-
Common Name English
1,3,4,6,7,11B-HEXAHYDRO-9,10-DI(METHOXY-D3)-3-(2-METHYLPROPYL)-,2H-BENZO(A)QUINOLIZIN-2-ONE, (3R,11BS)-REL-
Systematic Name English
(3SR,11BRS)-3-ISOBUTYL-9,10-BIS(METHOXY-D3)-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A)ISOQUINOLIN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
2244238-16-0
Created by admin on Sat Dec 16 18:27:57 GMT 2023 , Edited by admin on Sat Dec 16 18:27:57 GMT 2023
PRIMARY
PUBCHEM
73442751
Created by admin on Sat Dec 16 18:27:57 GMT 2023 , Edited by admin on Sat Dec 16 18:27:57 GMT 2023
PRIMARY
FDA UNII
BT2LV86QKA
Created by admin on Sat Dec 16 18:27:57 GMT 2023 , Edited by admin on Sat Dec 16 18:27:57 GMT 2023
PRIMARY