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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H22Cl2N2O10S
Molecular Weight 613.421
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-3-PYRIDINYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC2=CC=C(Cl)C(=C2)C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=N3

InChI

InChIKey=BIWWALZIXOVBET-CZLVRFMKSA-N
InChI=1S/C25H22Cl2N2O10S/c1-40(36,37)13-4-5-14(17(27)9-13)23(33)29-11-2-6-16(26)15(8-11)18-7-3-12(10-28-18)38-25-21(32)19(30)20(31)22(39-25)24(34)35/h2-10,19-22,25,30-32H,1H3,(H,29,33)(H,34,35)/t19-,20-,21+,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H22Cl2N2O10S
Molecular Weight 613.421
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:00:10 GMT 2023
Edited
by admin
on Sat Dec 16 09:00:10 GMT 2023
Record UNII
WQ9YM9S9E3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-3-PYRIDINYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Common Name English
VISMODEGIB (M5)
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 6-(2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)PHENYL)-3-PYRIDINYL
Systematic Name English
VISMODEGIB (M3)-O-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Common Name English
Code System Code Type Description
CAS
1370525-66-8
Created by admin on Sat Dec 16 09:00:10 GMT 2023 , Edited by admin on Sat Dec 16 09:00:10 GMT 2023
PRIMARY
FDA UNII
WQ9YM9S9E3
Created by admin on Sat Dec 16 09:00:10 GMT 2023 , Edited by admin on Sat Dec 16 09:00:10 GMT 2023
PRIMARY
PUBCHEM
156028049
Created by admin on Sat Dec 16 09:00:10 GMT 2023 , Edited by admin on Sat Dec 16 09:00:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE