104004-92-4
DIDESMETHYL MIFEPRISTONE
Name
DIDESMETHYL MIFEPRISTONE
Formula
C27 H31 N O2
MolWeight
401.547
1Identification
【Name】
DIDESMETHYL MIFEPRISTONE
【CAS】
【MDL】
MFCD00872129
【English Synonyms】
【Formula】
C27 H31 N O2
【MolWeight】
401.547
【Inchi】
InChI=1S/C27H31NO2/c1-3-13-27(30)14-12-24-22-10-6-18-15-20(29)9-11-21(18)25(22)23(16-26(24,27)2)17-4-7-19(28)8-5-17/h4-5,7-8,15,22-24,30H,6,9-12,14,16,28H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1
【InChIKey】
InChIKey=MIPBCIAEOBOEKD-YEEPMTPTSA-N
【SMILES】
CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIDESMETHYL MIFEPRISTONE.cml
Quick Release
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