IMITRODAST

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12N2O2S
Molecular Weight	260.312
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IMITRODAST

Structure Search

SMILES

OC(=O)C1=CC2=C(CC1)C=C(CN3C=CN=C3)S2

InChI

InChIKey=KRBSZXUPPSXPAN-UHFFFAOYSA-N

InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C13H12N2O2S
Molecular Weight	260.312
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/2724299 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19871007&CC=EP&NR=0240107A1&KC=A1 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19911101&CC=JP&NR=H03246293A&KC=A

Imitrodast is thianaphthene derivative and thromboxane A2 inhibitor patented by Japanese pharmaceutical company Sankyo Co as antithrombotic agent.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Synthesis and thromboxane synthetase inhibitory activity of di- or tetrahydrobenzo[b]thiophenecarboxylic acid derivatives.	1989 Jun	2724299

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:33:07 UTC 2023` Edited by `admin` on `Fri Dec 15 16:33:07 UTC 2023`
Record UNII	JCQ5G1KFHN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IMITRODAST

Official Name

English

4,5-DIHYDRO-2-(IMIDAZOL-1-YLMETHYL)BENZO(.BETA.)THIOPHENE-6-CARBOXYLIC ACID

Common Name

English

imitrodast [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29750

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

Code System Code Type Description

CAS

114686-12-3

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

PRIMARY

FDA UNII

JCQ5G1KFHN

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

PRIMARY

ChEMBL

CHEMBL22542

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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PUBCHEM

65922

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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SMS_ID

100000083382

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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NCI_THESAURUS

C65898

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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EPA CompTox

DTXSID70150829

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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INN

7162

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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EVMPD

SUB08155MIG

Created by admin on Fri Dec 15 16:33:07 UTC 2023 , Edited by admin on Fri Dec 15 16:33:07 UTC 2023

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Related Record Type Details


					5D808Q7D6E

IMITRODAST SODIUM

SALT/SOLVATE -> PARENT

Amount:


					XX7VY52OOD

THROMBOXANE A2 RECEPTOR

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					JCQ5G1KFHN

ACTIVE MOIETY

Amount: