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2D Structure
Also known as: 72578-71-3, Ifosfamide acylate, 2'-oxo ifosfamide, 119670-13-2, Sd8lx239cl, 2-chloro-1-[2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]ethanone
Molecular Formula
C7H13Cl2N2O3P
Molecular Weight
275.07  g/mol
InChI Key
KJRISYCCYWZCOF-UHFFFAOYSA-N
FDA UNII
SD8LX239CL

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-1-[2-(2-chloroethylamino)-2-oxo-1,3,25-oxazaphosphinan-3-yl]ethanone
2.1.2 InChI
InChI=1S/C7H13Cl2N2O3P/c8-2-3-10-15(13)11(7(12)6-9)4-1-5-14-15/h1-6H2,(H,10,13)
2.1.3 InChI Key
KJRISYCCYWZCOF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(P(=O)(OC1)NCCCl)C(=O)CCl
2.2 Other Identifiers
2.2.1 UNII
SD8LX239CL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 72578-71-3

2. Ifosfamide Acylate

3. 2'-oxo Ifosfamide

4. 119670-13-2

5. Sd8lx239cl

6. 2-chloro-1-[2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]ethanone

7. 2h-1,3,2-oxazaphosphorin-2-amine,3-(chloroacetyl)-n-(2-chloroethyl)tetrahydro-, 2-oxide, (r)-

8. 2-chloro-1-(2-((2-chloroethyl)amino)-2-oxido-1,3,2-oxazaphosphinan-3-yl)ethan-1-one

9. 2-chloro-1-(2-((2-chloroethyl)amino)dihydro-2-oxido-2h-1,3,2-oxazaphosphorin-3(4h)-yl)ethanone

10. Ethanone, 2-chloro-1-(2-((2-chloroethyl)amino)dihydro-2-oxido-2h-1,3,2-oxazaphosphorin-3(4h)-yl)-

11. Starbld0039856

12. Unii-sd8lx239cl

13. Ifosfamide Acylation Objects

14. Schembl7593141

15. Akos015895964

16. 3-(chloroacetyl)-n-(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine 2-oxide

17. 2 Inverted Exclamation Mark -oxo Ifosfamide

18. Ft-0653131

19. Ft-0673373

20. 578c713

21. A837567

22. J-004172

23. 2-chloro-1-[2-(2-chloroethylamino)-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-3-yl]ethanone

24. 2-chloro-1-[2-(2-chloroethylamino)-2-oxo-1,3,2?^{5}-oxazaphosphinan-3-yl]ethanone

25. 3-(2-chloroacetyl)-2-[(2-chloroethyl)amino]-1,3,2

26. E?-oxazaphosphinan-2-one

27. 2-chloranyl-1-[2-(2-chloroethylamino)-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-3-yl]ethanone

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 275.07 g/mol
Molecular Formula C7H13Cl2N2O3P
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass274.0040847 g/mol
Monoisotopic Mass274.0040847 g/mol
Topological Polar Surface Area58.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1