3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate
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![3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e2466266baf346a2972e0e1ddecdb15b.png "3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate")
3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate
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CAS No:
37752-28-6
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Formula:
C11H23Cl2N2O5PS
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Chemical Name:
3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate
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Synonyms:
37752-28-6;BRN 1087940;DTXSID00958794;2H-1,3,2-Oxazaphosphorine-3(4H)-propanol, dihydro-2-(bis(2-chloroethyl)amino)-, methanesulfonate (ester), 2-oxide;3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-3-yl]propyl methanesulfonate;3-{2-[Bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-3-yl}propyl methanesulfonate
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CAS No:
3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]propyl methanesulfonate Basic Attributes
397.3 g/mol
396.0442354 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - rat | 660 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,1139,1974 |
Computed Properties
Molecular Weight:397.3
XLogP3:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:396.0442354
Monoisotopic Mass:396.0442354
Topological Polar Surface Area:84.5
Heavy Atom Count:22
Complexity:468
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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