CAS 72578-71-3

Chemistry, 2 End Use API, 2 Related Intermediates

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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

CAS 72578-71-3

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 Formula	C₇H₁₃Cl₂N₂O₃P
Molecular Weight	275.07 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	274.0040847 g/mol
Monoisotopic Mass	274.0040847 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Shandong Boyuan Pharmaceutical

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CAS Number

72578-71-3

End Use API

Ifosfamide

About the Company

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.

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ESBR LABS Pvt Ltd

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3-chloroacetyl-2-(2-chloroethylAmino)-2-oxo-1-3-2-Oxaza...

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CAS Number

72578-71-3

End Use API

Ifosfamide

About the Company

ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation ...

ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation to clinical studies. We also provide support for Fine chemicals, APIs and API Intermediates, custom synthesis, reference standards, impurity synthesis, small library synthesis and process development & committed to deliver on time. We are strongly committed on client satisfaction, quality, safety, ethics and integrity. Our ability to deliver significant value to our customers by leveraging our scientific skills, global mind set and cost competitiveness differentiates us as one of the most trusted partners.

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