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N-Dechloroethyl Cyclophosphamide

CAT: 0572-TRC-D226400-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D226400-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36761-83-8
Synonyms
2H-1,3,2-Oxazaphosphorin-2-amine, N-(2-chloroethyl)tetrahydro-, 2-oxide; 2-(2-Chloroethylamino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide; 3-Dechloroethylifosfamide; Asta 4968; Dechloroethylcyclophosphamide; Monochloroethylcyclophosphamide; N-Dechloroethylcyclophosphamide; (2RS)-2-[(2-Chloroethyl)amino]-1,3,2λ5-oxazaphosphinan-2-one
Hazard Statement
Toxic if swallowed; UN number: UN3464; Packing Group: III
Purity
>95% (HPLC)
Smiles
ClCCNP1(=O)NCCCO1
Molecular Formula
C5 H12 Cl N2 O2 P
Molecular Weight
198.59
InChI
InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)
Additionnal Information
IUPAC name: N-(2-chloroethyl)-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Dechloroethylifosfamide

Dechloroethylcyclophosphamide is a phosphorodiamide.

CAS Number36761-83-8
PubChem CID114861
IUPAC NameN-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular FormulaC5H12ClN2O2P
Molecular Weight198.59
XLogP-0.3
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity167
SMILES
C1CNP(=O)(OC1)NCCCl
InChI
InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)
InChIKey
DZKGMGPLDJOVCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Dechloroethylifosfamide
CAS: 36761-83-8
CID: 114861
Formula: C5H12ClN2O2P
MW: 198.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.59
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass198.0324923
Monoisotopic Mass198.0324923
Topological Polar Surface Area50.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity167
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

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Alternative Products

CatalogName
FD20873-01N-Dechloroethyl cyclophosphamide
sc-500528N-Dechloroethyl Cyclophosphamide-d4
XAA08917-01N-Methyl cyclophosphamide
sc-499906N-Deschloroethyl-N-hydroxyethyl Cyclophosphamide
sc-482766N-Methyl cyclophosphamide-13C, d3
AR-C08664-01N-Nitroso Cyclophosphamide Impurity 11
AR-C08666-01N-Nitroso Cyclophosphamide EP Impurity D (N-nitroso Cyclophosphamide USP Related Compound B)
AR-C08667-01Di-N-Nitroso Cyclophosphamide EP Impurity E (Di-N-Nitroso Cyclophosphamide USP Related Compound D)
CS-O-53610N-Nitroso Cyclophosphamide USP Related compound D
RM-T260414-01Cyclophosphamide Related Compound A; Trazodone Hydrochloride Impurity N

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