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4-Hydroperoxy Cyclophosphamide-d4

CAT: 0572-TRC-H714677-1MGSize: 1 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-H714677-1MGSize:1 mg
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CAS Number
1246816-71-6
Synonyms
2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl Hydroperoxide-d4; 4-Hydroperoxycyclofosfamide-d4; Asta 6496-d4;
Hazard Statement
Harmful if swallowed
Smiles
O=P1(N(CC([2H])([2H])Cl)CC([2H])([2H])Cl)OCCC(OO)N1
Molecular Formula
C7H11D4Cl2N2O4P
Molecular Weight
297.11
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

4-Hydroperoxy Cyclophosphamide-d4
CAS Number1246816-71-6
PubChem CID71748787
IUPAC NameN,N-bis(2-chloro-2,2-dideuterioethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular FormulaC7H15Cl2N2O4P
Molecular Weight297.11
XLogP0.3
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity253
SMILES
[2H]C([2H])(CN(CC([2H])([2H])Cl)P1(=O)NC(CCO1)OO)Cl
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)/i2D2,3D2
InChIKey
VPAWVRUHMJVRHU-RRVWJQJTSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroperoxy Cyclophosphamide-d4
CAS: 1246816-71-6
CID: 71748787
Formula: C7H15Cl2N2O4P
MW: 297.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.11
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass296.0397563
Monoisotopic Mass296.0397563
Topological Polar Surface Area71 Ų
Heavy Atom Count16
Formal Charge0
Complexity253
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-780844-Hydroperoxy Cyclophosphamide-d4
sc-206885B4-Hydroperoxy Cyclophosphamide
CS-O-524294-Hydroxy Cyclophosphamide D4
sc-4894964-Glutathionyl Cyclophosphamide-d4
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