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Details

Stereochemistry RACEMIC
Molecular Formula C13H19N3OS.ClH.H2O
Molecular Weight 319.851
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=YVJKBELCLVQXCN-UHFFFAOYSA-N
InChI=1S/C13H19N3OS.ClH.H2O/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;1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ROCASTINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
AHR-11325D
Code English
ROCASTINE HYDROCHLORIDE MONOHYDRATE
Common Name English
AHR-11325-D
Code English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:1)
Systematic Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, MONOHYDROCHLORIDE, MONOHYDRATE
Common Name English
(±)-2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYLPYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE MONOHYDROCHLORIDE MONOHYDRATE
Systematic Name English
ROCASTINE HYDROCHLORIDE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL305775
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
PRIMARY
PUBCHEM
23725004
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
PRIMARY
CAS
99617-35-3
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
PRIMARY
USAN
X-70
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
PRIMARY
NCI_THESAURUS
C96545
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
PRIMARY
FDA UNII
P91VNP3T8A
Created by admin on Fri Dec 15 18:49:04 UTC 2023 , Edited by admin on Fri Dec 15 18:49:04 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ROCASTINE
NIH
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