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Chemical structure of thio-Miltefosine

GC45042

thio-Miltefosine

Also known as hexadecylsulfanyl-[2-(trimethylazaniumyl)ethoxy]phosphinate

thio-Miltefosine is a sulfur-containing derivative of miltefosine

ChemicalCAS943022-11-5MW423.6FormulaC21H46NO3PS
CAS number
943022-11-5
Molecular weight
423.6
Formula
C21H46NO3PS
Solubility
DMF: ·05 mg/ml,DMSO: ·5 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7·2): 1 mg/ml
InChIKey
GNVIGESUZAZBPC-UHFFFAOYSA-N
Catalogue number
GC45042
Brand
GLPBIO
Computed properties PubChem CID 23641646 · XLogP 7.1 · TPSA 74.7 Ų · H-bond donors 0
XLogP
7.1
TPSA
74.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
20
Heavy atoms
27

SMILES CCCCCCCCCCCCCCCCSP(=O)([O-])OCC[N+](C)(C)C

Computed descriptors from PubChem (CID 23641646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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