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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 of SAMIXOGREL

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

Approval Year

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
  • Download
Name Type Language
SAMIXOGREL
INN  
INN  
Official Name English
samixogrel [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
NCI_THESAURUS C471
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID701009931
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
EVMPD
SUB10437MIG
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
PUBCHEM
6436053
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
FDA UNII
5MB73H1ADH
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
NCI_THESAURUS
C73214
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
CAS
133276-80-9
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
SMS_ID
100000084050
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
INN
7222
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL277689
Created by admin on Fri Dec 15 16:15:44 UTC 2023 , Edited by admin on Fri Dec 15 16:15:44 UTC 2023
PRIMARY
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