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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38F3N3O10
Molecular Weight 669.6439
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KMD-3241G

SMILES

C[C@]([H])(Cc1cc2ccn(CCCO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)c2c(c1)C(=N)O)NCCOc4ccccc4OCC(F)(F)F

InChI

InChIKey=WNMMLRJIPDOZPL-UPUDQGLBSA-N
InChI=1S/C31H38F3N3O10/c1-17(36-8-12-44-21-5-2-3-6-22(21)46-16-31(32,33)34)13-18-14-19-7-10-37(23(19)20(15-18)28(35)41)9-4-11-45-30-26(40)24(38)25(39)27(47-30)29(42)43/h2-3,5-7,10,14-15,17,24-27,30,36,38-40H,4,8-9,11-13,16H2,1H3,(H2,35,41)(H,42,43)/t17-,24+,25+,26-,27+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H38F3N3O10
Molecular Weight 669.6439
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:45:52 UTC 2021
Edited
by admin
on Sat Jun 26 00:45:52 UTC 2021
Record UNII
0JY2OEQ57N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KMD-3241G
Common Name English
KDM-3241 GLUCURONIDE
Systematic Name English
(2S,3S,4S,5R,6R)-6-(3-(7-CARBAMOYL-5-((R)-2-((2-(2-(2,2,2-TRIFLUOROETHOXY)PHENOXY)ETHYL)AMINO)PROPYL)-1H-INDOL-1-YL)PROPOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
0JY2OEQ57N
Created by admin on Sat Jun 26 00:45:52 UTC 2021 , Edited by admin on Sat Jun 26 00:45:52 UTC 2021
PRIMARY
PUBCHEM
91800224
Created by admin on Sat Jun 26 00:45:52 UTC 2021 , Edited by admin on Sat Jun 26 00:45:52 UTC 2021
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Mediator: UDP-glucuronosyltransferase
MAJOR
PLASMA; URINE