valbenazine (ingrezza) Report issue

Small molecule Approved FDA Fast Track FDA Priority Review FDA
AACT ChEMBL DrugBank Drugs@FDA MeSH PubChem

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Chemistry

Mol. Mass

762.99

ALogP

3.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
  • 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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707248   ChEMBL
valbenazine tosylate *

CHEMBL2364639   ChEMBL
valbenazine

Valbenazine   Wikipedia

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