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Details

Stereochemistry RACEMIC
Molecular Formula C19H27NO4
Molecular Weight 333.422
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOHYDROXY TETRABENAZINE

SMILES

COC1=CC2=C(C=C1OC)[C@H]3CC(=O)[C@H](CC(C)(C)O)CN3CC2

InChI

InChIKey=WSSKRNHJTRPOTQ-UKRRQHHQSA-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

HIDE SMILES / InChI

Molecular Formula C19H27NO4
Molecular Weight 333.422
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 Sun Dec 18 13:21:28 UTC 2022
Edited
by admin
on Sun Dec 18 13:21:28 UTC 2022
Record UNII
Q013AUA6S6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOHYDROXY TETRABENAZINE
Common Name English
(3R,11BR)-3-(2-HYDROXY-2-METHYLPROPYL)-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO(2,1-A)ISOQUINOLIN-2-ONE
Systematic Name English
TETRABENAZINE METABOLITE M4
Common Name English
SD-1026
Code English
Code System Code Type Description
PUBCHEM
122415176
Created by admin on Sun Dec 18 13:21:29 UTC 2022 , Edited by admin on Sun Dec 18 13:21:29 UTC 2022
PRIMARY
FDA UNII
Q013AUA6S6
Created by admin on Sun Dec 18 13:21:29 UTC 2022 , Edited by admin on Sun Dec 18 13:21:29 UTC 2022
PRIMARY
Related Record Type Details
PARENT -> METABOLITE