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Details

Stereochemistry RACEMIC
Molecular Formula C13H19N3OS.2ClH
Molecular Weight 338.296
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CN(C)CCC1CN(C)C(=S)C2=CC=CN=C2O1

InChI

InChIKey=YMPCDUXVFUPMJD-UHFFFAOYSA-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

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ROCASTINE DIHYDROCHLORIDE
Common Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
6QW627S188
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
CAS
109914-03-6
Created by admin on Sat Dec 16 11:44:33 UTC 2023 , Edited by admin on Sat Dec 16 11:44:33 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
20240058
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
NIH
NCATS
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