U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N3OS.ClH
Molecular Weight 301.835
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE HYDROCHLORIDE ANHYDROUS, (R)-

SMILES

Cl.CN(C)CC[C@@H]1CN(C)C(=S)C2=CC=CN=C2O1

InChI

InChIKey=AQBJYGHPCGJKGB-HNCPQSOCSA-N
InChI=1S/C13H19N3OS.ClH/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;/h4-5,7,10H,6,8-9H2,1-3H3;1H/t10-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ROCASTINE HYDROCHLORIDE ANHYDROUS, (R)-
Common Name English
Code System Code Type Description
PUBCHEM
18602881
Created by admin on Sat Dec 16 11:44:33 UTC 2023 , Edited by admin on Sat Dec 16 11:44:33 UTC 2023
PRIMARY
FDA UNII
7WDR5QIU9N
Created by admin on Sat Dec 16 11:44:33 UTC 2023 , Edited by admin on Sat Dec 16 11:44:33 UTC 2023
PRIMARY