112362-50-2
DALFOPRISTIN
Name
DALFOPRISTIN
Formula
C34 H50 N4 O9 S
MolWeight
690.854
1Identification
【Name】
DALFOPRISTIN
【CAS】
【MDL】
MFCD00895414
【English Synonyms】
【Formula】
C34 H50 N4 O9 S
【MolWeight】
690.854
【Inchi】
InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1
【InChIKey】
InChIKey=SUYRLXYYZQTJHF-VMBLUXKRSA-N
【SMILES】
CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:13
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DALFOPRISTIN.cml
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