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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 2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)-3-(2-PYRIDINYL)PHENYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

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

InChI

InChIKey=YBRNGSGUIJXVLO-CZLVRFMKSA-N
InChI=1S/C25H22Cl2N2O10S/c1-40(36,37)12-5-6-13(15(26)10-12)23(33)29-11-8-14(16-4-2-3-7-28-16)18(27)17(9-11)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 01:47:09 GMT 2023
Edited
by admin
on Sat Dec 16 01:47:09 GMT 2023
Record UNII
WZ69JBY3HM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)-3-(2-PYRIDINYL)PHENYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Common Name English
VISMODEGIB (M1)O-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-CHLORO-5-((2-CHLORO-4-(METHYLSULFONYL)BENZOYL)AMINO)-3-(2-PYRIDINYL)PHENYL
Systematic Name English
VISMODEGIB (M4)
Common Name English
Code System Code Type Description
FDA UNII
WZ69JBY3HM
Created by admin on Sat Dec 16 01:47:09 GMT 2023 , Edited by admin on Sat Dec 16 01:47:09 GMT 2023
PRIMARY
CAS
1370525-65-7
Created by admin on Sat Dec 16 01:47:09 GMT 2023 , Edited by admin on Sat Dec 16 01:47:09 GMT 2023
PRIMARY
PUBCHEM
155929053
Created by admin on Sat Dec 16 01:47:09 GMT 2023 , Edited by admin on Sat Dec 16 01:47:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE