Canfosfamide hydrochlorideProduct ingredient for Canfosfamide
- Name
- Canfosfamide hydrochloride
- Drug Entry
- Canfosfamide
Canfosfamide is an active agent in chemotherapy-resistant ovarian cancer.
- Accession Number
- DBSALT000827
- Structure
- Synonyms
- Canfosfamide HCl / Canfosfamide hydrochloride
- External IDs
- TER 286 / TER286 / TLK 286 / TLK286
- UNII
- 1LI341K7NQ
- CAS Number
- 439943-59-6
- Weight
- Average: 823.935
Monoisotopic: 821.075438294 - Chemical Formula
- C26H41Cl5N5O10PS
- InChI Key
- NECZZOFFLFZNHL-XVGZVFJZSA-N
- 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
- IUPAC Name
- (2S)-2-amino-4-{[(1R)-2-[2-({bis[bis(2-chloroethyl)amino]phosphoryl}oxy)ethanesulfonyl]-1-{[(R)-carboxy(phenyl)methyl]carbamoyl}ethyl]carbamoyl}butanoic acid hydrochloride
- 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)C1=CC=CC=C1)C(O)=O
- External Links
- PubChem Compound
- 5312108
- ChemSpider
- 4471542
- ChEMBL
- CHEMBL2107319
- Predicted Properties
Property Value Source Water Solubility 0.0385 mg/mL ALOGPS logP -1 ALOGPS logP -2.9 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 1.37 Chemaxon pKa (Strongest Basic) 9.26 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 225.74 Å2 Chemaxon Rotatable Bond Count 25 Chemaxon Refractivity 175.76 m3·mol-1 Chemaxon Polarizability 74.19 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon