50801-44-0
CORTISUZOL
Name
CORTISUZOL
Formula
C37 H40 N2 O8 S
MolWeight
672.795
1Identification
【Name】
CORTISUZOL
【CAS】
【MDL】
MFCD00868406
【English Synonyms】
【Formula】
C37 H40 N2 O8 S
【MolWeight】
672.795
【Inchi】
InChI=1S/C37H40N2O8S/c1-21-13-27-29-14-22(2)37(43,32(41)20-47-34(42)23-9-8-12-26(15-23)48(44,45)46)36(29,4)18-31(40)33(27)35(3)17-24-19-38-39(30(24)16-28(21)35)25-10-6-5-7-11-25/h5-13,15-16,19,22,27,29,31,33,40,43H,14,17-18,20H2,1-4H3,(H,44,45,46)/t22-,27+,29+,31+,33-,35+,36+,37+/m1/s1
【InChIKey】
InChIKey=ZKIDWWQMNXGYHV-BYJSBFAFSA-N
【SMILES】
C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)c7cccc(c7)S(=O)(=O)O)O)C)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CORTISUZOL.cml
Quick Release
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