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Details

Stereochemistry MIXED
Molecular Formula C19H27NO5
Molecular Weight 355.4591
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0
Stereo Comments Diastereomixture

SHOW SMILES / InChI
Structure of 1,3,4,6,7,11B-HEXAHYDRO-2-HYDROXY-9,10-DI(METHOXY-D3)-.ALPHA.-METHYL-2H-BENZO(A)QUINOLIZINE-3-PROPANOIC ACID, (2R,3S,11BS)-REL-

SMILES

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

InChI

InChIKey=YKUYTZDBKXGBRU-KXZLISBASA-N
InChI=1S/C19H27NO5/c1-11(19(22)23)6-13-10-20-5-4-12-7-17(24-2)18(25-3)8-14(12)15(20)9-16(13)21/h7-8,11,13,15-16,21H,4-6,9-10H2,1-3H3,(H,22,23)/t11?,13-,15-,16+/m1/s1/i2D3,3D3

HIDE SMILES / InChI

Molecular Formula C19H27NO5
Molecular Weight 355.4591
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:26:44 UTC 2021
Edited
by admin
on Fri Jun 25 23:26:44 UTC 2021
Record UNII
PUK32WSH6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,4,6,7,11B-HEXAHYDRO-2-HYDROXY-9,10-DI(METHOXY-D3)-.ALPHA.-METHYL-2H-BENZO(A)QUINOLIZINE-3-PROPANOIC ACID, (2R,3S,11BS)-REL-
Systematic Name English
DEUTETRABENAZINE METABOLITE M1
Common Name English
2H-BENZO(A)QUINOLIZINE-3-PROPANOIC ACID, 1,3,4,6,7,11B-HEXAHYDRO-2-HYDROXY-9,10-DI(METHOXY-D3)-.ALPHA.-METHYL-, (2R,3S,11BS)-REL-
Systematic Name English
D6-TETRABENAZINE METABOLITE M1
Common Name English
Code System Code Type Description
CAS
1778697-55-4
Created by admin on Fri Jun 25 23:26:44 UTC 2021 , Edited by admin on Fri Jun 25 23:26:44 UTC 2021
PRIMARY
PUBCHEM
146014925
Created by admin on Fri Jun 25 23:26:44 UTC 2021 , Edited by admin on Fri Jun 25 23:26:44 UTC 2021
PRIMARY
FDA UNII
PUK32WSH6J
Created by admin on Fri Jun 25 23:26:44 UTC 2021 , Edited by admin on Fri Jun 25 23:26:44 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE