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Details

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

SHOW SMILES / InChI
Structure of 10-O-DESMETHYL-.ALPHA.-DIHYDROTETRABENAZINE

SMILES

COC1=CC2=C(C=C1O)[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CC2

InChI

InChIKey=QPCCFQGYORNUSE-FVQBIDKESA-N
InChI=1S/C18H27NO3/c1-11(2)6-13-10-19-5-4-12-7-18(22-3)17(21)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-/m1/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 13:42:22 GMT 2023
Edited
by admin
on Sat Dec 16 13:42:22 GMT 2023
Record UNII
DK3H75E8YD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-O-DESMETHYL-.ALPHA.-DIHYDROTETRABENAZINE
Common Name English
10-O-DESMETHYL-.ALPHA.-HTBZ
Common Name English
SD-972
Code English
2H-BENZO(A)QUINOLIZINE-2,10-DIOL, 1,3,4,6,7,11B-HEXAHYDRO-9-METHOXY-3-(2-METHYLPROPYL)-, (2R,3R,11BR)-REL-
Systematic Name English
(±)-10-O-DESMETHYL-.ALPHA.-HTBZ
Common Name English
Code System Code Type Description
CAS
1214267-79-4
Created by admin on Sat Dec 16 13:42:22 GMT 2023 , Edited by admin on Sat Dec 16 13:42:22 GMT 2023
PRIMARY
FDA UNII
DK3H75E8YD
Created by admin on Sat Dec 16 13:42:22 GMT 2023 , Edited by admin on Sat Dec 16 13:42:22 GMT 2023
PRIMARY
PUBCHEM
59272813
Created by admin on Sat Dec 16 13:42:22 GMT 2023 , Edited by admin on Sat Dec 16 13:42:22 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> METABOLITE