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39800-16-3

39800-16-3 Structure

39800-16-3 Structure
IdentificationBack Directory
[Name]

4-HYDROPEROXY CYCLOPHOSPHAMIDE
[CAS]

39800-16-3
[Synonyms]

4-HC
,2-oxide
asta6496
nsc181815
perfosfamide
4-peroxy-cpa
4-oohcyclophosphamide
4-hydroperoxyphosphamide
4-Hydroperoxycyclofosfamide
4-Hydroxyperoxycyclophophamide
4-HYDROPEROXY CYCLOPHOSPHAMIDE
perfosfaMide, 4-hydroperoxycyclophosphaMide
2-oxazophosphorine,2-(bis(2-chloroethyl)amino)-4-hydroperoxytetrahydro-2h-3
2-(bis(2-chloroethyl)amino)-4-hydroperoxytetrahydro-2h-1,3,2-oxazaphosphorin
hydroperoxide,2-(bis(2-chloroethyl)amino)tetrahydro-2h-1,3,2-oxazaphosphorin
2-[Bis(2-chloroethyl)amino]-4-hydroperoxytetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl Hydroperoxide
Hydroperoxide, 2-[bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl, p-oxide
2-[Bis(2-chloroethyl)amino]-3,4,5,6-tetrahydro-4-hydroperoxy-2H-1,3,2-oxazaphosphorin-2-oxide
[Molecular Formula]

C7H15Cl2N2O4P
[MDL Number]

MFCD01710226
[MOL File]

39800-16-3.mol
[Molecular Weight]

293.08
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

100-103°C
[Boiling point ]

419.9±55.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -86°C Freezer, Under Inert Atmosphere
[solubility ]

Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly), DCM
[form ]

Solid
[pka]

11.06±0.20(Predicted)
[color ]

White to Pale Yellow
[Stability:]

Hygroscopic, Temperature Sensitive
[InChI]

InChI=1S/C7H16Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,10,12,16H,1-6H2/q-1/p-1
[InChIKey]

ZZENMHFAKYKQCX-UHFFFAOYSA-M
[SMILES]

[O-]OC1CCOP(N(CCCl)CCCl)([O-])N1
[CAS DataBase Reference]

39800-16-3
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A metabolite of Cyclophosphamide. Antineoplastic; bone marrow purging agent
[Definition]

ChEBI: The active metabolite of the nitrogen mustard cyclophosphamide with potent antineoplastic and immunosuppressive properties.
[Biological Activity]

Active metabolite of the nitrogen mustard cyclophosphamide.
4-Hydroperoxycyclophosphamide is the active metabolite of the nitrogen mustard cyclophosphamide. 4-Hydroperoxycyclophosphamide exhibits potent antineoplastic and immunosuppressive activities.
[in vivo]

4-Hydroperoxy cyclophosphamide (200 mg/kg intraperitoneally injected) kills Caspase-independent T cells and B cells in mice[1].

Animal Model:BALB/c mice[1]
Dosage:200 mg/kg
Administration:i.p.
Result:Exhibited a marked depletion of immature double-positive CD4 t CD8 t thymocytes and mature single-positive CD4+ and CD8+ T cells.
[storage]

Store at -80°C, protect from light, stored under nitrogen
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