U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27NO3
Molecular Weight 305.4119
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-9-O-DESMETHYL-.ALPHA.-DIHYDROTETRABENAZINE

SMILES

COC1=CC2=C(CCN3C[C@H](CC(C)C)[C@@H](O)C[C@@H]23)C=C1O

InChI

InChIKey=NNGHNWCGIHBKHE-BPUTZDHNSA-N
InChI=1S/C18H27NO3/c1-11(2)6-13-10-19-5-4-12-7-17(21)18(22-3)8-14(12)15(19)9-16(13)20/h7-8,11,13,15-16,20-21H,4-6,9-10H2,1-3H3/t13-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H27NO3
Molecular Weight 305.4119
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 Wed Apr 02 11:40:28 GMT 2025
Edited
by admin
on Wed Apr 02 11:40:28 GMT 2025
Record UNII
X37Y2LX5SM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-9-O-DESMETHYL-.ALPHA.-DIHYDROTETRABENAZINE
Common Name English
NSC-750373
Preferred Name English
(-)-9-DEME-DTBZ
Common Name English
(2S,3S,11BS)-1,3,4,6,7,11B-HEXAHYDRO-10-METHOXY-3-(2-METHYLPROPYL)-2H-BENZO(A)QUINOLIZINE-2,9-DIOL
Systematic Name English
(-)-9-O-DESMETHYL-.ALPHA.-HTBZ
Common Name English
2H-BENZO(A)QUINOLIZINE-2,9-DIOL, 1,3,4,6,7,11B-HEXAHYDRO-10-METHOXY-3-(2-METHYLPROPYL)-, (2S,3S,11BS)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70715593
Created by admin on Wed Apr 02 11:40:28 GMT 2025 , Edited by admin on Wed Apr 02 11:40:28 GMT 2025
PRIMARY
CAS
1065193-41-0
Created by admin on Wed Apr 02 11:40:28 GMT 2025 , Edited by admin on Wed Apr 02 11:40:28 GMT 2025
PRIMARY
NSC
750373
Created by admin on Wed Apr 02 11:40:28 GMT 2025 , Edited by admin on Wed Apr 02 11:40:28 GMT 2025
PRIMARY
FDA UNII
X37Y2LX5SM
Created by admin on Wed Apr 02 11:40:28 GMT 2025 , Edited by admin on Wed Apr 02 11:40:28 GMT 2025
PRIMARY
PUBCHEM
59272867
Created by admin on Wed Apr 02 11:40:28 GMT 2025 , Edited by admin on Wed Apr 02 11:40:28 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER