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Carboxyphosphamide

CAT: 0013-GTR19190877-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190877-02Size:5 mg
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Description
Carboxyphosphamide is a non-cytotoxic metabolite generated from cyclophosphamide via ALDH-mediated oxidation of aldophosphamide. It is a key subject in pharmacokinetic and metabolic resistance studies, particularly in cancer research involving both in vitro enzymatic assays and in vivo models.
CAS Number
22788-18-7
Field of Research
Molecular Biology
Smiles
NP (=O) (OCCC (O) =O) N (CCCl) CCCl
Molecular Formula
C7H15Cl2N2O4P
Molecular Weight
293.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carboxyphosphamide

Carboxyphosphamide is a nitrogen mustard.

CAS Number22788-18-7
PubChem CID31515
IUPAC Name3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid
Molecular FormulaC7H15Cl2N2O4P
Molecular Weight293.08
XLogP-0.4
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity261
SMILES
C(COP(=O)(N)N(CCCl)CCCl)C(=O)O
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)
InChIKey
QLAKAJLYYGOZQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carboxyphosphamide
CAS: 22788-18-7
CID: 31515
Formula: C7H15Cl2N2O4P
MW: 293.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.08
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass292.0146493
Monoisotopic Mass292.0146493
Topological Polar Surface Area92.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
112081Carboxyphosphamide
TRC-C181352-10MGCarboxyphosphamide-d4
TRC-C181355-25MGCarboxyphosphamide Benzyl Ester
HY-W738320-01Carboxyphosphamide Benzyl Ester-d4
267985-01Carboxyphosphamide discontinued. See 005752

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