4-Oxo Cyclophosphamide - ≥98% , CAS No.27046-19-1

CAS: 27046-19-1 Cat. No.: O333342 Formula: C₇H₁₃Cl₂N₂O₃P Peso molecolare: 275.07

GRADE & PURITY ≥98%

Synonyms

4-Oxocyclophosphamide | J-016657 | FT-0673363 | NSC 139488 | BRN 5582971 | DTXSID501031077 | VBMZHOCORXMDJU-UHFFFAOYSA-N | CHEBI:1887 | 2-[Bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-one 2-oxide # | 4H-1,2-Oxazaphosphorin-4-one, 2-[bis(2-chloroethyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

4-Oxo Cyclophosphamide is a minor metabolite of Cyclophosphamide.

Specifications

Sinonimi

4-Oxocyclophosphamide | J-016657 | FT-0673363 | NSC 139488 | BRN 5582971 | DTXSID501031077 | VBMZHOCORXMDJU-UHFFFAOYSA-N | CHEBI:1887 | 2-[Bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-one 2-oxide # | 4H-1,2-Oxazaphosphorin-4-one, 2-[bis(2-chloroethyl)

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504753512
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753512
• Sorrisi canonici: C1COP(=O)(NC1=O)N(CCCl)CCCl
• IUPAC Name: 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-one
• InChIKey: VBMZHOCORXMDJU-UHFFFAOYSA-N
• INCHI: 1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)
• Isomeri SMILES: C1COP(=O)(NC1=O)N(CCCl)CCCl
• Peso molecolare: 275.07
• Reaxy-Rn: 616843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=616843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Organic phosphoramides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Nitrogen mustard - Organic phosphoric acid derivative - Organic phosphoric acid amide - Organoheterocyclic compound - Oxacycle - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• External Descriptors: nitrogen mustard

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: poor in water, >1% in DMSO
• Punto di fusione (°C): 139-141°C (lit.)
• Peso molecolare: 275.070 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 274.004 Da
• Monoisotopic Mass: 274.004 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 271.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1