ChemicalBook--->CAS DataBase List--->158401-52-6

158401-52-6

158401-52-6 Structure

158401-52-6 Structure
IdentificationBack Directory
[Name]

3-(2-chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
[CAS]

158401-52-6
[Synonyms]

Cyclophosphamide USP RC B
Cyclophosphamide Impurity 6
Cyclophosphamide EP Impurity D
CyclophosphaMide Related CoMpound B
CyclophosphaMide Monochloro IMpurity
Cyclophosphamide Amide Related Compound B
3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane
3-(2-CHLOROETHYL)-2-HYDROXY-1,3,6,2-OXADIAZAPHOSPHONANE 2-OXIDE
3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-Oxide
3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonine 2-Oxide
Cyclophosphamide EP Impurity D (Cyclophosphamide USP Related Compound B)
1,3,6,2-Oxadiazaphosphonine,3-(2-chloroethyl)octahydro-2-hydroxy-, 2-oxide
Cyclophosphamide Impurity 6 (3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonine 2-Oxide)
Cyclophosphamide Related Compound B (25 mg) (3-(2-chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane)
Cyclophosphamide Related Compound B (3-(2-chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane) (1157024)
[Molecular Formula]

C7H16ClN2O3P
[MOL File]

158401-52-6.mol
[Molecular Weight]

242.64
Chemical PropertiesBack Directory
[Melting point ]

>190°C (dec.)
[Boiling point ]

371.0±52.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Water (Slightly)
[form ]

Solid
[pka]

2.21±0.20(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical
[InChI]

1S/C7H16ClN2O3P/c8-2-5-10-6-4-9-3-1-7-13-14(10,11)12/h9H,1-7H2,(H,11,12)
[InChIKey]

SIMWMEHPUXRDQD-UHFFFAOYSA-N
[SMILES]

[P]1(=O)(N(CCNCCCO1)CCCl)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2934990002
[Storage Class]

13 - Non Combustible Solids
[Toxicity]

mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),Journal of Medicinal Chemistry. Vol. 37, Pg. 3986, 1994.
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A metabolite of Cyclophosphamide (C988580). Cyclophosphamide Impurity B
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