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

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
Rocastine (AHR-11325) is a potent, nonsedating antihistamine with a rapid onset of action. This H1-antagonist effectively protected guinea pigs challenged with a lethal dose of histamine. It has also been mentioned in patents as a candidate to treat eye conditions and cough/cold mixtures (in which the lack of sedative effects from a non-sedating antihistamine would be especially useful in children, because daytime sedation is especially undesirable in this group). However, information on current use is not available and other second-generation, non-sedative antihistamines are available.

Approval Year

Name Type Language
ROCASTINE
INN  
INN  
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 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
Code System Code Type Description
MESH
C061192
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
NCI_THESAURUS
C96544
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
SMS_ID
100000080267
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
EVMPD
SUB10349MIG
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
ChEMBL
CHEMBL305775
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
CAS
104609-87-2
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
SUPERSEDED
PUBCHEM
57520
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
FDA UNII
3391H2J6G4
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
INN
6002
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
CAS
91833-49-7
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID50874470
Created by admin on Fri Dec 15 18:49:03 GMT 2023 , Edited by admin on Fri Dec 15 18:49:03 GMT 2023
PRIMARY