166518-60-1
AVASIMIBE
Name
AVASIMIBE
Formula
C29 H43 N O4 S
MolWeight
501.728
1Identification
【Name】
AVASIMIBE
【CAS】
【MDL】
MFCD00934956
【English Synonyms】
【Formula】
C29 H43 N O4 S
【MolWeight】
501.728
【Inchi】
InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
【InChIKey】
InChIKey=PTQXTEKSNBVPQJ-UHFFFAOYSA-N
【SMILES】
CC(C)c1cccc(c1OS(=O)(=O)NC(=O)Cc2c(cc(cc2C(C)C)C(C)C)C(C)C)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:9.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
AVASIMIBE.cml
Quick Release
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