CETOXIME HYDROCHLORIDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H17N3O.ClH
Molecular Weight	291.776
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CETOXIME HYDROCHLORIDE

Structure Search

SMILES

Cl.ONC(=N)CN(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=BRUFGFZVVHTACX-UHFFFAOYSA-N

InChI=1S/C15H17N3O.ClH/c16-15(17-19)12-18(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13;/h1-10,19H,11-12H2,(H2,16,17);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	C15H17N3O
Molecular Weight	255.315
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11495227

Cetoxime is an aromatic amine patented by Boots Pure Drug Co. as antihistaminic drug

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Optimization of a mathematical topological pattern for the prediction of antihistaminic activity.	2001 Jun	11495227

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:25:30 GMT 2023` Edited by `admin` on `Fri Dec 15 17:25:30 GMT 2023`
Record UNII	ZQK64LNS4N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CETOXIME HYDROCHLORIDE

Common Name

English

2-N-BENZYLANILINOACETAMIDOXIME HYDROCHLORIDE

Common Name

English

CETOXIME HCL

Common Name

English

CETOXIME HYDROCHLORIDE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

ZQK64LNS4N

Created by admin on Fri Dec 15 17:25:30 GMT 2023 , Edited by admin on Fri Dec 15 17:25:30 GMT 2023

PRIMARY

PUBCHEM

20843842

Created by admin on Fri Dec 15 17:25:30 GMT 2023 , Edited by admin on Fri Dec 15 17:25:30 GMT 2023

PRIMARY

CAS

22204-29-1

Created by admin on Fri Dec 15 17:25:30 GMT 2023 , Edited by admin on Fri Dec 15 17:25:30 GMT 2023

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ChEMBL

CHEMBL2110778

Created by admin on Fri Dec 15 17:25:30 GMT 2023 , Edited by admin on Fri Dec 15 17:25:30 GMT 2023

PRIMARY

EPA CompTox

DTXSID001043255

Created by admin on Fri Dec 15 17:25:30 GMT 2023 , Edited by admin on Fri Dec 15 17:25:30 GMT 2023

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MERCK INDEX

m630

Created by admin on Fri Dec 15 17:25:30 GMT 2023 , Edited by admin on Fri Dec 15 17:25:30 GMT 2023

PRIMARY

Merck Index

Related Record Type Details


					Y4LRJ01Q0O

CETOXIME

PARENT -> SALT/SOLVATE

Related Record Type Details


					Y4LRJ01Q0O

CETOXIME

ACTIVE MOIETY