Cas no 51762-05-1 (Cefroxadine)

Cefroxadine structure
Cefroxadine structure
Product Name:Cefroxadine
CAS No:51762-05-1
MF:C16H19N3O5S
MW:365.40416264534
CID:56084
PubChem ID:5284529
Update Time:2025-04-18

Cefroxadine Chemical and Physical Properties

Names and Identifiers

    • Cefroxadine
    • (6R,7R)-7-[[(2R)-2-Amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R)-7t-((R)-2-amino-2-cyclohexa-1,4-dienyl-acetylamino)-3-methoxy-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 7-(d-2-amino-2-(1,4-cyclohexadienyl)acetamide)-3-methoxy-3-cephem-4-carboxyl
    • 7-[2-aMino-2-(cyclohexa-2,5-dien-1-yl)acetaMido]-3-Methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • antibioticcgp9000
    • cefroxadin
    • cgp9000
    • cxd
    • Oraspor
    • CGP-9000
    • Cefthan-DS
    • Tox21_113142
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3-methoxy-8-oxo-, (6R-(6alpha,7beta(R*)))-
    • CEFROXADINE [WHO-DD]
    • Antibiotic CGP 9000
    • B908C4MV2R
    • (6R,7R)-7-((R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • UNII-B908C4MV2R
    • EINECS 257-391-8
    • DSSTox_CID_2768
    • Cefroxadine (USAN)
    • Cgp 9000
    • (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 51762-05-1 (free)
    • AC1NR4MM
    • (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • D01528
    • 7-{[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methoxy-3,4-didehydrocepham-4-carboxylic acid
    • CEFROXADINE [USAN]
    • Cefroxadino
    • Cefroxadine [USAN:INN:JAN]
    • Cefthan-DS (TN)
    • DB11367
    • Cefroxadinum [INN-Latin]
    • DSSTox_RID_76723
    • 51762-05-1
    • CHEMBL3186538
    • BRN 0587499
    • Cefroxadinum
    • CEFROXADINE [MI]
    • CEFROXADINE [MART.]
    • HY-107064
    • (6R,7R)-7-{[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino}-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Q5057294
    • (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-7-[(R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • AKOS040744851
    • CEFROXADINE [INN]
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINO-1,4-CYCLOHEXADIEN-1-YLACETYL)AMINO)-3-METHOXY-8-OXO-, (6R-(6A,7B(R*)))-
    • CS-0027250
    • SCHEMBL147239
    • NS00011580
    • CHEBI:31379
    • SureCN147239
    • Cefroxadino [INN-Spanish]
    • DTXSID1022768
    • 7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)-3-methoxy-3-cephem-4-carboxylic acid
    • DTXCID602768
    • CAS-51762-05-1
    • Inchi: 1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
    • InChI Key: RDMOROXKXONCAL-UEKVPHQBSA-N
    • SMILES: S1CC(=C(C(=O)O)N2C([C@H]([C@@H]12)NC([C@@H](C1=CCC=CC1)N)=O)=O)OC

Computed Properties

  • Exact Mass: 365.10500
  • Monoisotopic Mass: 365.10454189g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 715
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.3
  • Topological Polar Surface Area: 147?2

Experimental Properties

  • Density: 1.3163 (rough estimate)
  • Melting Point: 170° (dec)
  • Boiling Point: 251°C (rough estimate)
  • Refractive Index: 1.6390 (estimate)
  • PSA: 147.26000
  • LogP: 0.96170
  • Specific Rotation: D20 +87° (c = 1.093 in 0.1N HCl)

Cefroxadine Security Information

  • Toxicity:LD50 in mice (mg/kg): >6000 orally; 7090 i.p. (Scartazzini, Bickel, 1978)

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