ROCASTINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H19N3OS
Molecular Weight	265.374
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ROCASTINE

Structure Search

SMILES

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

InChI

InChIKey=DPPDPATYPQFYDL-UHFFFAOYSA-N

InChI=1S/C13H19N3OS/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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ROCASTINE

Official Name

English

(±)-2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYLPYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE

Systematic Name

English

PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-

Systematic Name

English

rocastine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29578

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

Code System Code Type Description

MESH

C061192

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

NCI_THESAURUS

C96544

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

SMS_ID

100000080267

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

EVMPD

SUB10349MIG

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

ChEMBL

CHEMBL305775

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

CAS

104609-87-2

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

SUPERSEDED

PUBCHEM

57520

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

FDA UNII

3391H2J6G4

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

INN

6002

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

CAS

91833-49-7

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

EPA CompTox

DTXSID50874470

Created by admin on Fri Dec 15 18:49:03 UTC 2023 , Edited by admin on Fri Dec 15 18:49:03 UTC 2023

PRIMARY

ACTIVE MOIETY


					3391H2J6G4

ROCASTINE

SALT/SOLVATE (PARENT)


					K0F56K7CMZ

ROCASTINE FUMARATE

SALT/SOLVATE (PARENT)


					P91VNP3T8A

ROCASTINE HYDROCHLORIDE

SALT/SOLVATE (PARENT)


					RVZ9D60FSK

ROCASTINE HYDROCHLORIDE ANHYDROUS