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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H27ClFNO10S
Molecular Weight 612.02
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)CYCLOPENT(B)INDOLE-3-ACETATE)

SMILES

CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C4=C(CC[C@@H]4CC(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C2=CC(F)=C1

InChI

InChIKey=RDLTXMJIVXLRHI-GDIIIJHCSA-N
InChI=1S/C27H27ClFNO10S/c1-41(37,38)18-10-15(29)9-17-16-7-4-13(20(16)30(21(17)18)11-12-2-5-14(28)6-3-12)8-19(31)39-27-24(34)22(32)23(33)25(40-27)26(35)36/h2-3,5-6,9-10,13,22-25,27,32-34H,4,7-8,11H2,1H3,(H,35,36)/t13-,22+,23+,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)CYCLOPENT(B)INDOLE-3-ACETATE)
Systematic Name English
MK-0524 METABOLITE M2
Common Name English
Code System Code Type Description
FDA UNII
EPX0008MOI
Created by admin on Sat Dec 16 16:25:45 GMT 2023 , Edited by admin on Sat Dec 16 16:25:45 GMT 2023
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CAS
901779-02-0
Created by admin on Sat Dec 16 16:25:45 GMT 2023 , Edited by admin on Sat Dec 16 16:25:45 GMT 2023
PRIMARY
PUBCHEM
102385138
Created by admin on Sat Dec 16 16:25:45 GMT 2023 , Edited by admin on Sat Dec 16 16:25:45 GMT 2023
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