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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N3OS.2ClH
Molecular Weight 338.296
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE DIHYDROCHLORIDE, (S)-

SMILES

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

InChI

InChIKey=YMPCDUXVFUPMJD-XRIOVQLTSA-N
InChI=1S/C13H19N3OS.2ClH/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;2*1H/t10-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ROCASTINE DIHYDROCHLORIDE, (S)-
Common Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, DIHYDROCHLORIDE, (S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
13726482
Created by admin on Mon Mar 31 23:21:20 GMT 2025 , Edited by admin on Mon Mar 31 23:21:20 GMT 2025
PRIMARY
FDA UNII
23G77TYH3A
Created by admin on Mon Mar 31 23:21:20 GMT 2025 , Edited by admin on Mon Mar 31 23:21:20 GMT 2025
PRIMARY
CAS
104641-56-7
Created by admin on Mon Mar 31 23:21:20 GMT 2025 , Edited by admin on Mon Mar 31 23:21:20 GMT 2025
PRIMARY
NIH
NCATS
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