SAMIXOGREL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H25ClN2O4S
Molecular Weight	484.995
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC\C=C(/C1=CC=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1)C3=CC=CN=C3

InChI

InChIKey=LGHLGTHRJNIRCA-ZXKDJJQISA-N

InChI=1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+

HIDE SMILES / InChI

Molecular Formula	C25H25ClN2O4S
Molecular Weight	484.995
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: https://adisinsight.springer.com/drugs/800003383

Boehringer Ingelheim developed samixogrel as thromboxane A2 receptor antagonists. This drug participated in clinical trials for the treatment patients with diabetic complications, thrombosis, and unstable angina pectoris. However, all these studies were discontinued.

Originator

Approval Year

PubMed

Title	Date	PubMed
Guanidine derivatives as combined thromboxane A2 receptor antagonists and synthase inhibitors.	1999 Apr 8	10197967

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:15:44 UTC 2023` Edited by `admin` on `Fri Dec 15 16:15:44 UTC 2023`
Record UNII	5MB73H1ADH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAMIXOGREL

Official Name

English

samixogrel [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1327