U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H19N3OS
Molecular Weight 265.374
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:00:05 GMT 2023
Edited
by admin
on Sat Dec 16 01:00:05 GMT 2023
Record UNII
RVZ9D60FSK
Record Status Validated (UNII)
Record Version
  • Download
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 GMT 2023 , Edited by admin on Sat Dec 16 01:00:05 GMT 2023
PRIMARY
PUBCHEM
13726486
Created by admin on Sat Dec 16 01:00:05 GMT 2023 , Edited by admin on Sat Dec 16 01:00:05 GMT 2023
PRIMARY
FDA UNII
RVZ9D60FSK
Created by admin on Sat Dec 16 01:00:05 GMT 2023 , Edited by admin on Sat Dec 16 01:00:05 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY