123948-89-0
(S)-9-(MORPHOLINO)METHYL-10-HYDROXYCAMPTOTHECIN
Name(S)-9-(MORPHOLINO)METHYL-10-HYDROXYCAMPTOTHECIN
1Identification
【Name】
(S)-9-(MORPHOLINO)METHYL-10-HYDROXYCAMPTOTHECIN
【CAS】
【MDL】
MFCD00884566
【English Synonyms】
【Formula】
C25 H25 N3 O6
【MolWeight】
463.487
【Inchi】
InChI=1S/C25H25N3O6/c1-2-25(32)18-10-20-22-14(11-28(20)23(30)17(18)13-34-24(25)31)9-15-16(12-27-5-7-33-8-6-27)21(29)4-3-19(15)26-22/h3-4,9-10,29,32H,2,5-8,11-13H2,1H3/t25-/m0/s1
【InChIKey】
InChIKey=HHGDSMGXVQDEOV-VWLOTQADSA-N
【SMILES】
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CN6CCOCC6)O)O
【MOL File】
(S)-9-(MORPHOLINO)ME….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-(MORPHOLINO)METHYL-10-HYDROXYCAMPTOTHECIN.cml