Carboxyphosphamide - ≥96% , CAS No.22788-18-7

CAS: 22788-18-7 Cat. No.: C333554 Summenformel: C₇H₁₅Cl₂N₂O₄P Molekulargewicht: 293.08

GRADE & PURITY ≥96%

Synonyms

3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid | Carboxyphosphamide | Propanoic acid, 3-((amino(bis(2-chloroethyl)amino)phosphinyl)oxy)- | Q15716203 | BRN 2053657 | CEPM | DP4677AX41 | C07646 | Propanoic acid, 3-[[amino[bis(2-chloroethyl)a

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Carboxyphosphamide is a Cyclophosphamide metabolite.

Specifications

Synonyme

3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid | Carboxyphosphamide | Propanoic acid, 3-((amino(bis(2-chloroethyl)amino)phosphinyl)oxy)- | Q15716203 | BRN 2053657 | CEPM | DP4677AX41 | C07646 | Propanoic acid, 3-[[amino[bis(2-chloroethyl)a

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 528774734
• Kanonisches Lächeln: C(COP(=O)(N)N(CCCl)CCCl)C(=O)O
• IUPAC Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid
• InChIKey: QLAKAJLYYGOZQL-UHFFFAOYSA-N
• INCHI: 1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)
• Isomere SMILES: C(COP(=O)(N)N(CCCl)CCCl)C(=O)O
• Molekulargewicht: 293.08
• Reaxy-Rn: 2053657
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053657&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Phosphoric monoester diamides Phosphate esters Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrogen mustard - Phosphoric monoester diamide - Organic phosphoric acid derivative - Phosphoric acid ester - Organic phosphoric acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 105-108° C
• Molekulargewicht: 293.080 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 292.015 Da
• Monoisotopic Mass: 292.015 Da
• Topological Polar Surface Area: 92.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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