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4-Hydroperoxy Cyclophosphamide

CAT: 0024-sc-206885ASize: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-206885ASize:1 mg
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CAS Number
39800-16-3

Chemical Information

4-Hydroperoxycyclophosphamide

4-hydroperoxycyclophosphamide is a phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. It has a role as an alkylating agent, a metabolite, an antineoplastic agent, an immunosuppressive agent and a drug allergen. It is a phosphorodiamide, a peroxol, an organochlorine compound and a nitrogen mustard.

CAS Number39800-16-3
PubChem CID38347
IUPAC NameN,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular FormulaC7H15Cl2N2O4P
Molecular Weight293.08
XLogP0.3
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity253
SMILES
C1COP(=O)(NC1OO)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)
InChIKey
VPAWVRUHMJVRHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroperoxycyclophosphamide
CAS: 39800-16-3
CID: 38347
Formula: C7H15Cl2N2O4P
MW: 293.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.08
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass292.0146493
Monoisotopic Mass292.0146493
Topological Polar Surface Area71 Ų
Heavy Atom Count16
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-2028894-Hydroperoxy-2-nonenal
sc-4894954-Glutathionyl Cyclophosphamide
sc-2101364-Oxo Cyclophosphamide
sc-202889A4-Hydroperoxy-2-nonenal
sc-4894964-Glutathionyl Cyclophosphamide-d4
sc-361165Cyclophosphamide
sc-361165BCyclophosphamide
sc-361165ACyclophosphamide
sc-361165CCyclophosphamide
sc-49065911β-Hydroperoxy Dienogest

Alternative Products

CatalogName
TRC-H714675-1MG4-Hydroperoxy Cyclophosphamide
TRC-H714677-1MG4-Hydroperoxy Cyclophosphamide-d4
CDA27367-014-Glutathionyl cyclophosphamide
T35645-014-oxo Cyclophosphamide
AR-C03802-014-Hydroxy Cyclophosphamide
T36001-014-hydroperoxy 2-Nonenal

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