Cas no 3577-01-3 (Cephaloglycin)

Cephaloglycin structure
Cephaloglycin structure
Product Name:Cephaloglycin
CAS No:3577-01-3
MF:C18H19N3O6S
MW:405.424963235855
MDL:MFCD00056878
CID:307369
PubChem ID:19150
Update Time:2025-04-19

Cephaloglycin Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-,(6R,7R)-
    • Cephaloglycin
    • (6R)-3-acetoxymethyl-7t-((R)-2-amino-2-phenyl-acetylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cefaloglicina
    • Cefaloglycin
    • Cefaloglycine
    • Cefaloglycinum
    • Cephaloglycin anhydrous
    • Cephaloglycine
    • Cephaoglycin acid
    • D-Cephaloglycine
    • Kafocin
    • HSDB 3214
    • Kefocin
    • 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup 3)-cephem-4-carboxylic acid
    • UNII-HD2D469W6U
    • 7-(D-alpha-Aminophenyl-acetamido)cephalosporanic acid
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-
    • 3-((Acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • SCHEMBL2947
    • NCGC00521078-02
    • CEPHALOGLYCIN [MI]
    • FUBBGQLTSCSAON-PBFPGSCMSA-N
    • Cefaloglycine [INN-French]
    • NS00011574
    • (6R,7R)-7-((R)-2-AMINO-2-PHENYLACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID ACETATE (ESTER)
    • CEG
    • Cefaloglycinum (INN-Latin)
    • 7-(2-D-alpha-Aminophenylacetamido)cephalosporanic acid
    • (6R,7R)-3-(acetoxymethyl)-7-(((2R)-2-amino-2-phenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • Cefaloglycine (INN-French)
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[(2R)-aminophenylacetyl]amino]-8-oxo-,(6R,7R)-
    • EINECS 222-696-7
    • HD2D469W6U
    • (6R,7R)-3-(acetoxymethyl)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-((AMINOPHENYLACETYL)AMINO)-8-OXO-, (6R-(6alpha,7beta(R*)))
    • 3-acetoxymethyl-7beta-[(2R)-2-amino-2-phenylacetamido]-3,4-didehydrocepham-4-carboxylic acid
    • 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, acetate inner salt
    • Cefaloglycinum [INN-Latin]
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(2-AMINO-2-PHENYLACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-, ACETATE (ES///
    • (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-((AMINOPHENYLACETYL)AMINO)-8-OXO-, (6R-(6.ALPHA.,7.BETA.(R*)))
    • Cefaloglycin [INN]
    • DTXCID402781
    • Epitope ID:174844
    • Cefaloglycin (JAN)
    • Cefaloglicina [INN-Spanish]
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid, 3-((acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*))), dihydrate
    • D01949
    • DB00689
    • Cefaloglycin dihydrate
    • 7-(D-alpha-Aminophenylacetamido)-cephalosporanic acid dihydrate
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), D-
    • (6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate (ester)
    • Kefglycin
    • CHEBI:34613
    • GTPL12193
    • D-(-)-Cephaloglycin
    • 3577-01-3
    • Lilly 39435
    • Cefaloglicina (INN-Spanish)
    • DTXSID4022781
    • CHEMBL1200971
    • 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup3)-cephem-4-carboxylic acid
    • 3-acetoxymethyl-7beta-((2R)-2-amino-2-phenylacetamido)-3,4-didehydrocepham-4-carboxylic acid
    • Cephaloglycin anhdyous
    • Cephaloglycin dihydrate
    • CEFALOGLYCIN [WHO-DD]
    • EN300-19734691
    • CEPHALOGLYCIN [HSDB]
    • 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-((AMINOPHENYLACETYL)AMINO)-8-OXO-, (6R-(6AL///
    • CEFALOGLYCIN [JAN]
    • Q5057214
    • HY-16137
    • 7-(D-ALPHA-AMINOPHENYLACETAMIDO)CEPHALOSPORANIC ACID
    • CS-0006156
    • 7-(2-AMINO-2-PHENYLACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5 -THIA-1-AZABICYCLO
    • DA-62180
    • MDL: MFCD00056878
    • Inchi: 1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1
    • InChI Key: FUBBGQLTSCSAON-PBFPGSCMSA-N
    • SMILES: S1CC(COC(C)=O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC=CC=1)N)=O)=O

Computed Properties

  • Exact Mass: 405.09900
  • Monoisotopic Mass: 405.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 718
  • 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: _3
  • Topological Polar Surface Area: 164A^2

Experimental Properties

  • Density: 1.3328 (rough estimate)
  • Melting Point: 236.5°C (rough estimate)
  • Boiling Point: 217.4°C (rough estimate)
  • Flash Point: 414.5 ℃
  • Refractive Index: 1.6390 (estimate)
  • PSA: 164.33000
  • LogP: 1.01720

Cephaloglycin Security Information

  • Hazard Category Code: 42/43
  • Safety Instruction: 36
  • Hazardous Material Identification: Xn
  • Storage Condition:Warehouse ventilation and low temperature drying

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