3-Oxopropyl N,N'-bis(2-chloroethyl)phosphorodiamidate
Basic information
- CAS
120144-70-9- Standard SMILES
O=CCCOP(=O)(NCCCl)NCCCl- InChIKey
IPTJZZUYNOWWHM-UHFFFAOYSA-N- Molecular formula
- C7H15Cl2N2O3P
- Average molar mass
- 277.08 g/mol
- Monoisotopic mass
- 276.0197347
Overview
Aldoifosfamide is a phosphorodiamide.
Names & identifiers
- Preferred name
- 3-Oxopropyl N,N'-bis(2-chloroethyl)phosphorodiamidate
- IUPAC
- 3-bis(2-chloroethylamino)phosphoryloxypropanal
- English name
- Aldoifosfamide
- Molecular formula
- C7H15Cl2N2O3P
- Molecular weight
- 277.085361
Names & synonyms
Aldoifosfamide120144-70-9S1JX147O5E3-oxopropyl n,n'-bis(2-chloroethyl)phosphorodiamidateDTXSID00152699RefChem:935730DTXCID60751903-bis(2-chloroethylamino)phosphoryloxypropanalPhosphorodiamidic acid, N,N'-bis(2-chloroethyl)-, 3-oxopropyl esterUNII-S1JX147O5ECHEMBL1318orb1986581
Show more names
SCHEMBL12207458CHEBI:80563AKOS040750310CS-0106946T29851Q27149607
Database identifiers
- CAS
120144-70-9- PubChem CID
- 189733
- DTXSID
DTXSID00152699- ChEMBL
CHEMBL1318、CHEMBL733- ChEBI
CHEBI:80563- UNII
- S1JX147O5E
- Nikkaji
- J468.180K
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- FDA UNII
- 1 JX147O5E · S1JX147O5E
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysIfosfamide Action Pathway
Applications
UsesAldoifosfamide, a compound used to quantify 4-hydroxyifosfamide, was measured in plasma by a specific method with results that were not significantly different from another method, suggesting that existing nonspecific methods are acceptable in specific circumstances.
Additional notes
DefinitionChEBI: Aldoifosfamide is a phosphorodiamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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