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Details

Stereochemistry RACEMIC
Molecular Formula C13H19N3OS.C4H4O4
Molecular Weight 381.447
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN(C)CCC1CN(C)C(=S)C2=CC=CN=C2O1

InChI

InChIKey=LZFCSDIBLCSFAK-WLHGVMLRSA-N
InChI=1S/C13H19N3OS.C4H4O4/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;5-3(6)1-2-4(7)8/h4-5,7,10H,6,8-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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 10:14:55 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:55 GMT 2023
Record UNII
K0F56K7CMZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROCASTINE FUMARATE
Common Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (E)-2-BUTENEDIOATE
Systematic Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (2E)-2-BUTENEDIOATE
Systematic Name English
AHR-11325
Code English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
91833-50-0
Created by admin on Sat Dec 16 10:14:55 GMT 2023 , Edited by admin on Sat Dec 16 10:14:55 GMT 2023
PRIMARY
PUBCHEM
6917885
Created by admin on Sat Dec 16 10:14:55 GMT 2023 , Edited by admin on Sat Dec 16 10:14:55 GMT 2023
PRIMARY
CAS
1156096-60-4
Created by admin on Sat Dec 16 10:14:55 GMT 2023 , Edited by admin on Sat Dec 16 10:14:55 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
K0F56K7CMZ
Created by admin on Sat Dec 16 10:14:55 GMT 2023 , Edited by admin on Sat Dec 16 10:14:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE