126883-99-6
NORVERAPAMIL N-BETA-D-GLUCURONIDE
NameNORVERAPAMIL N-BETA-D-GLUCURONIDE
1Identification
【Name】
NORVERAPAMIL N-BETA-D-GLUCURONIDE
【CAS】
【MDL】
MFCD09952262
【English Synonyms】
【Formula】
C32 H44 N2 O10
【MolWeight】
616.704
【Inchi】
InChI=1S/C32H44N2O10/c1-19(2)32(18-33,21-9-11-23(41-4)25(17-21)43-6)13-7-14-34(15-12-20-8-10-22(40-3)24(16-20)42-5)30-28(37)26(35)27(36)29(44-30)31(38)39/h8-11,16-17,19,26-30,35-37H,7,12-15H2,1-6H3,(H,38,39)/t26-,27-,28+,29-,30+,32?/m0/s1
【InChIKey】
InChIKey=PMBMAYXZKGXGNE-OOIBDUHFSA-N
【SMILES】
CC(C)C(CCCN(CCc1ccc(c(c1)OC)OC)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)(C#N)c3ccc(c(c3)OC)OC
【MOL File】
NORVERAPAMIL N-BETA-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NORVERAPAMIL N-BETA-D-GLUCURONIDE.cml