288853-59-8
(5-HYDROXY ROSIGLITAZONE)-BETA-D-GLUCURONIDE
Name(5-HYDROXY ROSIGLITAZONE)-BETA-D-GLUCURONIDE
1Identification
【Name】
(5-HYDROXY ROSIGLITAZONE)-BETA-D-GLUCURONIDE
【CAS】
【MDL】
MFCD09840772
【English Synonyms】
【Formula】
C24 H27 N3 O10 S
【MolWeight】
549.554
【Inchi】
InChI=1S/C24H27N3O10S/c1-27(8-9-35-13-4-2-12(3-5-13)10-15-21(31)26-24(34)38-15)16-7-6-14(11-25-16)36-23-19(30)17(28)18(29)20(37-23)22(32)33/h2-7,11,15,17-20,23,28-30H,8-10H2,1H3,(H,32,33)(H,26,31,34)/t15?,17-,18-,19+,20-,23+/m0/s1
【InChIKey】
InChIKey=QGESYIGEZXWVIN-LXSPYKISSA-N
【SMILES】
CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
【MOL File】
(5-HYDROXY ROSIGLITA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:13
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-HYDROXY ROSIGLITAZONE)-BETA-D-GLUCURONIDE.cml