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Details

Stereochemistry RACEMIC
Molecular Formula C13H19N3OS.ClH
Molecular Weight 301.835
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE HYDROCHLORIDE ANHYDROUS

SMILES

Cl.CN(C)CCC1CN(C)C(=S)C2=C(O1)N=CC=C2

InChI

InChIKey=AQBJYGHPCGJKGB-UHFFFAOYSA-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

HIDE SMILES / InChI

Approval Year

Name Type Language
ROCASTINE HYDROCHLORIDE ANHYDROUS
Common Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, MONOHYDROCHLORIDE, (±)-
Common Name English
2-(2-DIMETHYLAMINOETHYL)-3,4-DIHYDRO-4-METHYL-PYRIDO(3,2-F)-1,4-OXAZEPINE-5-(2H)-THIONE MONOHYDROCHLORIDE
Common Name English
(±)-2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYLPYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE MONOHYDROCHLORIDE
Systematic Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
111672-14-1
Created by admin on Sat Dec 16 01:00:05 UTC 2023 , Edited by admin on Sat Dec 16 01:00:05 UTC 2023
PRIMARY
PUBCHEM
13726486
Created by admin on Sat Dec 16 01:00:05 UTC 2023 , Edited by admin on Sat Dec 16 01:00:05 UTC 2023
PRIMARY
FDA UNII
RVZ9D60FSK
Created by admin on Sat Dec 16 01:00:05 UTC 2023 , Edited by admin on Sat Dec 16 01:00:05 UTC 2023
PRIMARY