-
Name
Palifosfamide
- EINECS
- CAS No. 31645-39-3
- Article Data12
- CAS DataBase
- Density 1.411 g/cm3
- Solubility
- Melting Point 106-107 °C
- Formula C4H11Cl2N2O2P
- Boiling Point 341.5 °C at 760 mmHg
- Molecular Weight 221.023
- Flash Point 160.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Ifosfamide mustard;Isophosphoramide mustard;N,N'-Di(2-chloroethyl)phosphorodiamidic acid;N1,N2-Bis(2-chloroethyl)phosphoricacid diamide;NSC 297900;Palifosfamide;ZIO 201;
- PSA 71.17000
- LogP 1.52540
Palifosfamide Specification
1. Introduction of Palifosfamide
Palifosfamide is a antineoplastic. The IUPAC Name of this chemical is bis(2-chloroethylamino)phosphinic acid. You can also call it "Phosphorodiamidic acid,N,N'-bis(2-chloroethyl)-". This chemical belongs to the following classification codes: (1)Alkylating Agents ; (2)Antineoplastic ; (3)Antineoplastic Agents ; (4)Antineoplastic agents, alkylating ; (5)Noxae. It is antitumor metabolite of ifosfamide.
2. Properties of Palifosfamide
Physical properties about Palifosfamide are:
(1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -3.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.59 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 45.87 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Enthalpy of Vaporization: 64.31 kJ/mol; (19)Vapour Pressure: 1.45×10-5 mmHg at 25°C.
3. Structure Descriptors of Palifosfamide
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCNP(=O)(O)NCCCl
(2)InChI: InChI=1/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
(3)InChIKey: BKCJZNIZRWYHBN-UHFFFAOYAK
(4)Canonical SMILES: C(CCl)NP(=O)(NCCCl)O
4. Uses of Palifosfamide
Palifosfamide is antitumor metabolite of ifosfamide.
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