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Details

Stereochemistry RACEMIC
Molecular Formula C19H27NO4
Molecular Weight 339.4597
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOHYDROXY DEUTETRABENAZINE

SMILES

CC(C)(C[C@]1([H])CN2CCc3cc(c(cc3[C@@]2([H])CC1=O)OC([H])([H])[H])OC([H])([H])[H])O

InChI

InChIKey=WSSKRNHJTRPOTQ-WXIDZIMUSA-N
InChI=1S/C19H27NO4/c1-19(2,22)10-13-11-20-6-5-12-7-17(23-3)18(24-4)8-14(12)15(20)9-16(13)21/h7-8,13,15,22H,5-6,9-11H2,1-4H3/t13-,15-/m1/s1/i3D3,4D3

HIDE SMILES / InChI

Molecular Formula C19H27NO4
Molecular Weight 339.4597
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 Jun 26 00:36:30 UTC 2021
Edited
by admin
on Sat Jun 26 00:36:30 UTC 2021
Record UNII
RD9UQ57EE1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOHYDROXY DEUTETRABENAZINE
Common Name English
2H-BENZO(A)QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-3-(2-HYDROXY-2-METHYLPROPYL)-9,10-DI(METHOXY-D3)-, (3R,11BR)-REL-
Systematic Name English
DEUTETRABENAZINE METABOLITE M4
Common Name English
DEUTERATED MONOHYDROXY TETRABENAZINE
Common Name English
((3R,11BR)/(3S,11BS))-3-(2-HYDROXY-2-METHYLPROPYL)-9,10-DI(METHOXY-D3)-1,3,4,6,7,11B-HEXAHYDRO-PYRIDO(2,1-A)ISOQUINOLIN-2-ONE
Systematic Name English
REL-(3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-3-(2-HYDROXY-2-METHYLPROPYL)-9,10-DI(METHOXY-D3)-2H-BENZO(A)QUINOLIZIN-2-ONE
Systematic Name English
D6-TETRABENAZINE METABOLITE M4
Common Name English
SD-1018
Code English
Code System Code Type Description
FDA UNII
RD9UQ57EE1
Created by admin on Sat Jun 26 00:36:30 UTC 2021 , Edited by admin on Sat Jun 26 00:36:30 UTC 2021
PRIMARY
CAS
1688661-95-1
Created by admin on Sat Jun 26 00:36:30 UTC 2021 , Edited by admin on Sat Jun 26 00:36:30 UTC 2021
PRIMARY
PUBCHEM
131635369
Created by admin on Sat Jun 26 00:36:30 UTC 2021 , Edited by admin on Sat Jun 26 00:36:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE