ifosfamide
C₇H₁₅Cl₂N₂O₂P·261.080 g/mol·CID 3690
IUPAC: N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Also known as: 3778-73-2, Isophosphamide, Iphosphamide, Isofosfamide, Ifex (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
261.080g/mol
Exact Mass
260.024820Da
Monoisotopic Mass
260.024820Da
XLogP
0.9
Polar Surface Area
41.6Ų
Complexity
218
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 261.1 g/mol
MW ≤ 500
✓ 0.9
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH319Causes serious eye irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)
Isomers8 compounds with formula C₇H₁₅Cl₂N₂O₂P
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 2907 · 261.1 g/mol
(2R)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9554282 · 261.1 g/mol
(2S)-N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9588019 · 261.1 g/mol
(2R)-N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9588020 · 261.1 g/mol
(2S)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9554281 · 261.1 g/mol
N,N-bis(2-chloroethyl)-5,5-dideuterio-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 84061 · 263.1 g/mol
3-(2-chloroethyl)-2-(2-chloroethylamino)-1,3,2-oxazaphosphinan-4-ol
CID 115317 · 261.1 g/mol
N,N-bis(2-chloroethyl)-5-methyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
CID 98420 · 261.1 g/mol