Home Other Building Blocks Repaglinide Acyl--D-glucuronide

Repaglinide Acyl--D-glucuronide

CAS No.:
1309112-13-7
Catalog Number:
AG009EIO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009EIO
Chemical Name:
Repaglinide Acyl--D-glucuronide
CAS Number:
1309112-13-7
MDL Number:
MFCD09752144
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C33H44N2O10/c1-4-43-25-17-20(12-13-22(25)32(42)45-33-29(39)27(37)28(38)30(44-33)31(40)41)18-26(36)34-23(16-19(2)3)21-10-6-7-11-24(21)35-14-8-5-9-15-35/h6-7,10-13,17,19,23,27-30,33,37-39H,4-5,8-9,14-16,18H2,1-3H3,(H,34,36)(H,40,41)/t23-,27-,28-,29+,30-,33-/m0/s1
InChI Key:
HVHBBHOYIACRHO-GKKNLZSLSA-N
UNII:
BTH5V4730Z
Properties
Complexity:
975  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
628.3g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
628.719g/mol
Monoisotopic Mass:
628.3g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
A comprehensive assessment of repaglinide metabolic pathways: impact of choice of in vitro system and relative enzyme contribution to in vitro clearance. Drug metabolism and disposition: the biological fate of chemicals 20120701
Properties