2-Chlorotetrahydro-2-oxo-2H-1,3,2-oxazaphosphorin - CAS 5638-58-4
Catalog: |
BB070116 |
Product Name: |
2-Chlorotetrahydro-2-oxo-2H-1,3,2-oxazaphosphorin |
CAS: |
5638-58-4 |
Synonyms: |
2-Chloro-1,3,2-oxazaphosphacyclohexane 2-Oxide |
IUPAC Name: | 2-chloro-1,3,2λ5-oxazaphosphinane 2-oxide |
Description: | 2-Chlorotetrahydro-2-oxo-2H-1,3,2-oxazaphosphorin is an intermediate in the synthesis of N-Dides(2-chloroethyl) N-(2-Hydroxyethyl),N-(2-ethoxyethyl) Cyclophosphamide (C984610) which is a derivative of Cyclophosphamide Monohydrate (C988580), a known human carcinogen that is widely used in cancer chemotherapy because it can cross-link DNA causing strand breakage and mutation. |
Molecular Weight: | 155.52 |
Molecular Formula: | C3H7ClNO2P |
Canonical SMILES: | C1CNP(=O)(OC1)Cl |
InChI: | InChI=1S/C3H7ClNO2P/c4-8(6)5-2-1-3-7-8/h1-3H2,(H,5,6) |
InChI Key: | KTJQXXIVWRXBCC-UHFFFAOYSA-N |
References: | Wheeler, A.G., et al. Toxicol. Appl. Pharmacol., 4, 324 (1962), Fraiser, L.H., et al. Drugs, 42, 781 (1991), Colvin, O.M., et al. Curr. Pharmaceut. Design, 5, 555 (1999). |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.9902932 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.9902932 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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