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-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C19H27NO5
Molecular Weight	355.4584
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-

Structure Search

SMILES

[2H]C([2H])([2H])OC1=C(OC([2H])([2H])[2H])C=C2[C@H]3C[C@H](O)[C@H](CC(C)C(O)=O)CN3CCC2=C1

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	355.4584
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 `Sat Dec 16 15:26:48 GMT 2023` Edited by `admin` on `Sat Dec 16 15:26:48 GMT 2023`
Record UNII	PUK32WSH6J
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:26:48 GMT 2023 , Edited by admin on Sat Dec 16 15:26:48 GMT 2023

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PUBCHEM

146014925

Created by admin on Sat Dec 16 15:26:48 GMT 2023 , Edited by admin on Sat Dec 16 15:26:48 GMT 2023

PRIMARY

FDA UNII

PUK32WSH6J

Created by admin on Sat Dec 16 15:26:48 GMT 2023 , Edited by admin on Sat Dec 16 15:26:48 GMT 2023

PRIMARY

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DEUTETRABENAZINE

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