ISOMAZOLE HYDROCHLORIDE

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C14H13N3O2S.ClH
Molecular Weight	323.798
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOMAZOLE HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=C(C=CC(=C1)[S+](C)[O-])C2=NC3=CC=NC=C3N2

InChI

InChIKey=OJDNVOWLGHYRPR-UHFFFAOYSA-N

InChI=1S/C14H13N3O2S.ClH/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14;/h3-8H,1-2H3,(H,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	C14H13N3O2S
Molecular Weight	287.337
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:27:15 UTC 2023` Edited by `admin` on `Fri Dec 15 17:27:15 UTC 2023`
Record UNII	QA075T23R1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOMAZOLE HYDROCHLORIDE

Official Name

English

ISOMAZOLE HYDROCHLORIDE [USAN]

Common Name

English

LY 175326

Code

English

1H-IMIDAZO(4,5-C)PYRIDINE, 2-(2-METHOXY-4-(METHYLSULFINYL)PHENYL)-, MONOHYDROCHLORIDE

Common Name

English

LY-175326

Code

English

ISOMAZOLE HCL

Common Name

English

2-[2-Methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-c]pyridine monohydrochloride

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801007502

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

CAS

87359-33-9

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

MESH

C029758

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

FDA UNII

QA075T23R1

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110680

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

NCI_THESAURUS

C174883

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

USAN

W-68

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

PRIMARY

PUBCHEM

55689

Created by admin on Fri Dec 15 17:27:15 UTC 2023 , Edited by admin on Fri Dec 15 17:27:15 UTC 2023

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