TIBENZATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H12OS
Molecular Weight	228.309
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(SCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=IXTYVGVNWHFZBK-UHFFFAOYSA-N

InChI=1S/C14H12OS/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

HIDE SMILES / InChI

Molecular Formula	C14H12OS
Molecular Weight	228.309
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=19750904&CC=DE&NR=2500660A1&KC=A1 | https://www.hindawi.com/journals/jchem/2011/214870/abs/

Tibenzate is a thiobenzoic acid derivative disclosed in Merck & Co., Inc. patent application. Topically applied Tibenzate shows high acaricidal activity, especially against itch mites (Sarcoptes scabiei) and their eggs. Tibenzate shows some level of antimicrobial activity against S.aureus, P.aeruginosa, and C.albicans.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Alcohol dehydrogenase 6 Target ID: CHEMBL2096668 Sources: https://www.jstage.jst.go.jp/article/yakushi1947/89/9/89_9_1179/_pdf/-char/ja	Inhibitor 8297
Histidine decarboxylase 9 Target ID: CHEMBL3243911 Sources: https://www.jstage.jst.go.jp/article/yakushi1947/89/9/89_9_1179/_pdf/-char/ja	Inhibitor 8297

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:32 GMT 2023` Edited by `admin` on `Fri Dec 15 15:43:32 GMT 2023`
Record UNII	0I93JSA6L6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIBENZATE

Official Name

English

tibenzate [INN]

Common Name

English

NSC-79263

Code

English

Code System Code Type Description

EPA CompTox

DTXSID90158463