123948-93-6
(S)-9-[(1,4'-BIPIPERIDIN)-1'-YL]METHYL-10-HYDROXYCAMPTOTHECIN
Name(S)-9-[(1,4'-BIPIPERIDIN)-1'-YL]METHYL-10-HYDROXYCAMPTOTHECIN
1Identification
【Name】
(S)-9-[(1,4'-BIPIPERIDIN)-1'-YL]METHYL-10-HYDROXYCAMPTOTHECIN
【CAS】
【MDL】
MFCD00884568
【English Synonyms】
【Formula】
C31 H36 N4 O5
【MolWeight】
544.648
【Inchi】
InChI=1S/C31H36N4O5/c1-2-31(39)24-15-26-28-19(16-35(26)29(37)23(24)18-40-30(31)38)14-21-22(27(36)7-6-25(21)32-28)17-33-12-8-20(9-13-33)34-10-4-3-5-11-34/h6-7,14-15,20,36,39H,2-5,8-13,16-18H2,1H3/t31-/m0/s1
【InChIKey】
InChIKey=YIPGKHZMSPVPMN-HKBQPEDESA-N
【SMILES】
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CN6CCC(CC6)N7CCCCC7)O)O
【MOL File】
(S)-9-[(1,4'-BIPIPER….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-9-[(1,4'-BIPIPERIDIN)-1'-YL]METHYL-10-HYDROXYCAMPTOTHECIN.cml