CANFOSFAMIDE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 1LI341K7NQ

Structure

InChI Key NECZZOFFLFZNHL-XVGZVFJZSA-N
Smiles Cl.N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O
InChI
InChI=1S/C26H40Cl4N5O10PS.ClH/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19;/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41);1H/t20-,21-,23+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H41Cl5N5O10PS
Molecular Weight 823.94
AlogP 1.7
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 25.0
Polar Surface Area 225.74
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 47.0

Cross References

Resources Reference
ChEMBL CHEMBL2107319
FDA SRS 1LI341K7NQ
CONTENTS