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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

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

Approval Year

Unknown
86413
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
PARENT (SALT/SOLVATE)
Structure of Valbenazine
NIH
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