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Aldophosphamide

CAT: 0013-GTR19199532-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199532-02Size:100 mg
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Description
Aldophosphamide is a cytotoxic metabolite that induces apoptosis in tumor cells. It is used in research to study the mechanisms and efficacy of cyclophosphamide-based therapies in both in vitro cell culture and in vivo animal models of cancer.
CAS Number
35144-64-0
Field of Research
Metabolism Research
Smiles
N (P (OCCC=O) (N) =O) (CCCl) CCCl
Molecular Formula
C7H15Cl2N2O3P
Molecular Weight
277.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aldophosphamide

Aldophosphamide is a nitrogen mustard.

CAS Number35144-64-0
PubChem CID107744
IUPAC Name3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanal
Molecular FormulaC7H15Cl2N2O3P
Molecular Weight277.08
XLogP-0.5
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity224
SMILES
C(COP(=O)(N)N(CCCl)CCCl)C=O
InChI
InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)
InChIKey
QMGUSPDJTPDFSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aldophosphamide
CAS: 35144-64-0
CID: 107744
Formula: C7H15Cl2N2O3P
MW: 277.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.08
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass276.0197347
Monoisotopic Mass276.0197347
Topological Polar Surface Area72.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity224
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
HY-114917Aldophosphamide

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