Valbenazine dihydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38N2O4.2ClH
Molecular Weight	491.491
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Valbenazine dihydrochloride

Structure Search

SMILES

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

InChI

InChIKey=PMSGGBFTMLDQAW-TZYFFPFWSA-N

InChI=1S/C24H38N2O4.2ClH/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4;;/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3;2*1H/t17-,19-,20-,23+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H38N2O4
Molecular Weight	418.5695
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:49:19 UTC 2023` Edited by `admin` on `Sat Dec 16 01:49:19 UTC 2023`
Record UNII	2VXT34O9XO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Valbenazine dihydrochloride

Common Name

English

L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester, hydrochloride (1:2)

Systematic Name

English

NBI-98854 DIHYDROCHLORIDE

Code

English

(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro2H-benzo[a]quinolizin-2-yl L-valinate dihydrochloride

Systematic Name

English

Code System Code Type Description

CAS

1639208-51-7

Created by admin on Sat Dec 16 01:49:19 UTC 2023 , Edited by admin on Sat Dec 16 01:49:19 UTC 2023

PRIMARY

PUBCHEM

92135808

Created by admin on Sat Dec 16 01:49:19 UTC 2023 , Edited by admin on Sat Dec 16 01:49:19 UTC 2023

PRIMARY

FDA UNII

2VXT34O9XO

Created by admin on Sat Dec 16 01:49:19 UTC 2023 , Edited by admin on Sat Dec 16 01:49:19 UTC 2023

PRIMARY

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