5-Bromocyclophosphamide
Basic information
- CAS
101834-45-1- Standard SMILES
O=P1(N(CCCl)CCCl)NCC(Br)CO1- InChIKey
FANXZPANFQUGNC-UHFFFAOYSA-N- Molecular formula
- C7H14BrCl2N2O2P
- Average molar mass
- 339.98 g/mol
- Monoisotopic mass
- 337.93533
Names & identifiers
- Preferred name
- 5-Bromocyclophosphamide
- IUPAC
- 5-bromo-N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Names & synonyms
5-Bromo-cyclophosphamide5-Bromocyclophosphamide2-(Bis(2-chloroethyl)amino)tetrahydro-5-bromo-2H-1,3,2-oxazaphosphorine 2-oxide101834-45-12H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-5-bromo-, 2-oxideTetrahydro-2-(bis(2-chloroethyl)amino)-5-bromo-2H-1,3,2-oxazaphosphorine 2-oxideRefChem:302039NSC266345CHEMBL3230838DTXSID70906742NSC-2663452-[Bis(2-chloroethyl)amino]-5-bromo-1,3,2lambda~5~-oxazaphosphinan-2-one
Database identifiers
- CAS
101834-45-1- PubChem CID
- 320153
- DTXSID
DTXSID70906742- ChEMBL
CHEMBL3230838- Nikkaji
- J78.545H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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