BROXITALAMIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11Br3N2O5
Molecular Weight	502.938
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BROXITALAMIC ACID

Structure Search

SMILES

CC(=O)NC1=C(Br)C(C(=O)NCCO)=C(Br)C(C(O)=O)=C1Br

InChI

InChIKey=HGWOCGUIQUERSN-UHFFFAOYSA-N

InChI=1S/C12H11Br3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)

HIDE SMILES / InChI

Molecular Formula	C12H11Br3N2O5
Molecular Weight	502.938
Charge	0
Count

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

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19830316&CC=EP&NR=0074309A1&KC=A1 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19830309&CC=EP&NR=0073715A1&KC=A1 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19830316&CC=EP&NR=0074309A1&KC=A1

Broxitalamic acid is tribromobenzoic acid derivative used as x-ray contrast medium

Originator

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:29:48 GMT 2025` Edited by `admin` on `Mon Mar 31 18:29:48 GMT 2025`
Record UNII	CX05Q7WO72
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

broxitalamic acid [INN]

Preferred Name

English

BROXITALAMIC ACID

Official Name

English

5-ACETAMIDO-2,4,6-TRIBROMO-N-(2-HYDROXYETHYL)ISOPHTHALAMIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

189882

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

PRIMARY

NCI_THESAURUS

C72095

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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NCI_THESAURUS

C45678

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

CONCEPT

Industrial Aid

EPA CompTox

DTXSID50868950

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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SMS_ID

100000085841

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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ChEMBL

CHEMBL2106565

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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CAS

86216-41-3

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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EVMPD

SUB05938MIG

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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INN

5594

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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FDA UNII

CX05Q7WO72

Created by admin on Mon Mar 31 18:29:48 GMT 2025 , Edited by admin on Mon Mar 31 18:29:48 GMT 2025

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Related Record Type Details


					CX05Q7WO72

BROXITALAMIC ACID

ACTIVE MOIETY