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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 Sat Dec 16 18:36:19 UTC 2023
Edited
by admin
on Sat Dec 16 18:36:19 UTC 2023
Record UNII
X37Y2LX5SM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-9-O-DESMETHYL-.ALPHA.-DIHYDROTETRABENAZINE
Common 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
NSC-750373
Code English
Code System Code Type Description
EPA CompTox
DTXSID70715593
Created by admin on Sat Dec 16 18:36:19 UTC 2023 , Edited by admin on Sat Dec 16 18:36:19 UTC 2023
PRIMARY
CAS
1065193-41-0
Created by admin on Sat Dec 16 18:36:19 UTC 2023 , Edited by admin on Sat Dec 16 18:36:19 UTC 2023
PRIMARY
NSC
750373
Created by admin on Sat Dec 16 18:36:19 UTC 2023 , Edited by admin on Sat Dec 16 18:36:19 UTC 2023
PRIMARY
FDA UNII
X37Y2LX5SM
Created by admin on Sat Dec 16 18:36:19 UTC 2023 , Edited by admin on Sat Dec 16 18:36:19 UTC 2023
PRIMARY
PUBCHEM
59272867
Created by admin on Sat Dec 16 18:36:19 UTC 2023 , Edited by admin on Sat Dec 16 18:36:19 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER