3-Hydroxypropyl N,N-bis(2-chloroethyl)phosphorodiamidate
Basic information
- CAS
52336-54-6- Standard SMILES
NP(=O)(OCCCO)N(CCCl)CCCl- InChIKey
BZGFIGVSVQRQBJ-UHFFFAOYSA-N- Molecular formula
- C7H17Cl2N2O3P
- Average molar mass
- 279.1 g/mol
- Monoisotopic mass
- 278.0353848
Overview
Alcophosphamide is a nitrogen mustard.
Names & identifiers
- Preferred name
- 3-Hydroxypropyl N,N-bis(2-chloroethyl)phosphorodiamidate
- IUPAC
- 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropan-1-ol
- English name
- alcophosphamide
- Molecular formula
- C7H17Cl2N2O3P
- Molecular weight
- 279.1
Names & synonyms
Alcophosphamide52336-54-6X3CP3B98PLNSC-153182DTXSID6012012753-Hydroxypropyl N,N-bis(2-chloroethyl)phosphorodiamidatePhosphorodiamidic acid, N,N-bis(2-chloroethyl)-, 3-hydroxypropyl esterRefChem:911425DTXCID901632714Hydroxyphosphamide3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropan-1-olNSC 153182
Show more names
NSC 227248Cyclophosphamide Impurity 8 (Alcocyclophosphamide)Cyclophosphamide Impurity 20 (aldehyde cyclophosphamide)O-(3-Hydroxypropyl) N,N-Bis(2-chloroethyl)phosphorodiaMidateN,N-Bis(2-chloroethyl)phosphorodiaMidic Acid 3-Hydroxypropyl Ester
N,N-Bis(2-chloroethyl)phosphorodiamidic Acid 3-Hydroxypropyl Ester; NSC 153182; NSC 227248; O-(3-Hydroxypropyl) N,N-Bis(2-chloroethyl)phosphorodiamidate;NSC-227248UNII-X3CP3B98PLorb1698572CHEMBL3706540SCHEMBL12937643CHEBI:805593-({amino[bis(2-chloroethyl)amino]phosphoryl}oxy)propan-1-ol
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 413.8 · 413.8±55.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.72 · 14.72±0.10(Predicted)
- color
- Colourless to Off-White Oil
- Stability
- Hygroscopic
- FDA UNII
- 3 CP3B98PL · X3CP3B98PL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Applications
UsesAlcophosphamide is a metabolite of the chemotherapeutic agent Cyclophosphamide (C988580).
Additional notes
DefinitionChEBI: Alcophosphamide is a nitrogen mustard.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…