ROCASTINE HYDROCHLORIDE

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 Search

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

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	H2O
Molecular Weight	18.0153
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	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2571244 | https://www.ncbi.nlm.nih.gov/pubmed/1673158 | https://patents.google.com/patent/US4871733A/en | https://patents.google.com/patent/US6649602B1/en

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 `Fri Dec 15 18:49:03 GMT 2023` Edited by `admin` on `Fri Dec 15 18:49:03 GMT 2023`
Record UNII	P91VNP3T8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROCASTINE HYDROCHLORIDE

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