(+)-α-Dihydrotetrabenazine

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H29NO3
Molecular Weight	319.4385
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (+)-α-Dihydrotetrabenazine

Structure Search

SMILES

[H][C@]12C[C@@H](O)[C@H](CC(C)C)CN1CCC3=CC(OC)=C(OC)C=C23

InChI

InChIKey=WEQLWGNDNRARGE-DJIMGWMZSA-N

InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H29NO3
Molecular Weight	319.4385
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 13:41:28 UTC 2023` Edited by `admin` on `Sat Dec 16 13:41:28 UTC 2023`
Record UNII	IFRYDMLSGE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-α-Dihydrotetrabenazine

Common Name

English

(+)-(2R,3R,11BR)-DIHYDROTETRABENAZINE

Common Name

English

(2R,3R,11BR)-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-2H-BENZO(A)QUINOLIZIN-2-OL

Systematic Name

English

(+)-DTBZ

Common Name

English

(+)-ALPHA-DIHYDROTETRABENAZINE

Common Name

English

(+)-DIHYDROTETRABENAZINE

Common Name

English

2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2R,3R,11bR)-

Systematic Name

English

DIHYDROTETRABENAZINE, (+)-.ALPHA.-

Common Name

English

NBI-98782

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

607417

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

FDA ORPHAN DRUG

498715

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

Code System Code Type Description

PUBCHEM

14580381

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

PRIMARY

EPA CompTox

DTXSID30561896

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

PRIMARY

SMS_ID

300000044642

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

PRIMARY

FDA UNII

IFRYDMLSGE

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

PRIMARY

CAS

85081-18-1

Created by admin on Sat Dec 16 13:41:29 UTC 2023 , Edited by admin on Sat Dec 16 13:41:29 UTC 2023

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Excretion (urine, unchanged)	PHARMACOKINETIC

Excretion (feces, unchanged)	PHARMACOKINETIC

Plasma protein binding	PHARMACOKINETIC