1-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphorine 9-oxide
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Basic information
- CAS
64724-10-3- Standard SMILES
O=P12OCCCN1CCN2CCCl- InChIKey
PWGJOPOXRGOWLB-UHFFFAOYSA-N- Molecular formula
- C7H14ClN2O2P
- Average molar mass
- 224.62 g/mol
- Monoisotopic mass
- 224.0481424
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphorine 9-oxide
- IUPAC
- 9-(2-chloroethyl)-2-oxa-6,9-diaza-1λ5-phosphabicyclo[4.3.0]nonane 1-oxide
- English name
- 1-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphorine 9-Oxide
- Molecular formula
- C7H14ClN2O2P
- Molecular weight
- 224.62
Names & synonyms
64724-10-31-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphorine 9-oxideNSC2686829-(2-chloroethyl)-2-oxa-6,9-diaza-1lambda5-phosphabicyclo[4.3.0]nonane 1-oxide1-(2-Chloroethyl)hexahydro-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphinine 9-oxideNSC 268682, Cyclophosphamide impurityCyclophosphamide Impurity 17PWGJOPOXRGOWLB-UHFFFAOYSA-Nstarbld0040465CHEMBL3230836SCHEMBL17247997DTXSID60313305
Show more names
1H,5H-[1,3,2]Diazaphospholo[2,1-b][1,3,2]oxazaphosphorine, 1-(2-chloroethyl)tetrahydro-, 9-oxide
NSC 268682NSC-268682DB-2255331-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphinine 9-oxide #1-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-beta][1,3,2]oxazaphosphorine 9-Oxide1-(2-Chloroethyl)tetrahydro-5H-9lambda~5~-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphinin-9(1H)-one1H,5H-[1,3,2]Diazaphospholo[2,1-b][1,3,2]oxazaphosphorine, 1-(2-chloroethyl)-2,3,6,7-tetrahydro-, 9-oxide
Database identifiers
- CAS
64724-10-3- PubChem CID
- 320576
- DTXSID
DTXSID60313305- ChEMBL
CHEMBL3230836- Nikkaji
- J629.645I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 134 · 134-138°C
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- Methanol, Water
- form
- Solid
- color
- Yellow to Orange
Chemistry & industry
Applications
Uses1-(2-Chloroethyl)tetrahydro-1H,5H-[1,3,2]diazaphospholo[2,1-b][1,3,2]oxazaphosphorine 9-Oxide is a cyclophosphamide derivative. A degradation product of cyclophosphamide synthesis with antitumor activity.
Related reactions
0 records
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Compound notes
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