Valbenazine tosylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38N2O4.2C7H8O3S
Molecular Weight	762.973
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.[H][C@]34C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC5=CC(OC)=C(OC)C=C45

InChI

InChIKey=BXGKAGLZHGYAMW-TZYFFPFWSA-N

InChI=1S/C24H38N2O4.2C7H8O3S/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;2*1-6-2-4-7(5-3-6)11(8,9)10/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/t17-,19-,20-,23+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
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 11:26:28 UTC 2023` Edited by `admin` on `Sat Dec 16 11:26:28 UTC 2023`
Record UNII	5SML1T733B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Valbenazine tosylate

Official Name

English

VALBENAZINE TOSILATE [JAN]

Common Name

English

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

Systematic Name

English

VALBENAZINE TOSYLATE [ORANGE BOOK]

Common Name

English

VALBENAZINE TOSYLATE [USAN]

Common Name

English

VALBENAZINE TOSYLATE [MI]

Common Name

English

VALBENAZINE DITOSYLATE

Common Name

English

NBI-98854 DITOSYLATE

Code

English

VALBENAZINE TOSILATE

Common Name

English

Valbenazine tosilate [WHO-DD]

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, 4-methylbenzenesulfonate (1:2)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78272