Cas no 69712-56-7 (Cefotetan)

Cefotetan structure
Cefotetan structure
Product Name:Cefotetan
CAS No:69712-56-7
MF:C17H17N7O8S4
MW:575.618977308273
MDL:MFCD00864983
CID:59006
PubChem ID:53025
Update Time:2025-04-18

Cefotetan Chemical and Physical Properties

Names and Identifiers

    • cefotetan
    • Cefotetan acid
    • Cefotetan disodium
    • Apacef
    • Apatef
    • CEFOTETAN SODIUM
    • Ceftenon
    • Cepan Darvilen
    • Yamatetan
    • (6R,7S)-7-[[4-(1-Amino-3-hydroxy-1,3-dioxopropan-2-ylidene)1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic a
    • (6R,7S)-7-[[4-(1-Amino-3-hydroxy-1,3-dioxopropan-2-ylidene)1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cefotetanum
    • ICI 156834
    • MLS002153829
    • Cefotetanum [INN-Latin]
    • (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • SMR001233197
    • 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-dideh
    • NCGC00179507-01
    • BPBio1_000668
    • disodium 7-[[4-(2-amino-1-carboxylato-2-oxo-ethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • BRN 1208088
    • (6R,7S)-7-[[4-(2-amino-1-carboxy-2-keto-ethylidene)-1,3-dithietane-2-carbonyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • CEFOTETAN [USAN]
    • HMS2234C15
    • CS-0092723
    • Cefotetan, Antibiotic for Culture Media Use Only
    • C17H17N7O8S4
    • DB01330
    • W-104601
    • NCGC00016914-06
    • CEFOTETAN [USP IMPURITY]
    • DTXSID1022762
    • AS-56133
    • SCHEMBL61376
    • AKOS015896100
    • (6R,7S)-7-(4-(Carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • D00260
    • SPBio_002545
    • ICI 156,834
    • NSC 760045
    • SR-01000842155
    • (6R,7S)-4-((2-CARBOXY-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-7-YL)CARBAMOYL)-1,3-DITHIETANE-.DELTA.(SUP 2,.ALPHA.)-MALONAMIC ACID
    • ICI-156834
    • (6R,7S)-7-[[[4-(2-Amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
    • UNII-48SPP0PA9Q
    • (6R,7S)-4-((2-Carboxy-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)carbamoyl)-1,3-dithietane-delta(sup 2,alpha)-malonamic acid
    • BDBM80643
    • Prestwick2_000473
    • cid_53025
    • YM 09330
    • ICI156834
    • C2936
    • DTXCID202762
    • CEFOTETAN [MI]
    • Cefotetan [USAN:USP:INN:BAN]
    • Ici-156,834
    • CEFOTETAN [VANDF]
    • Tox21_110681
    • CHEBI:3499
    • 48SPP0PA9Q
    • CEFOTETAN [JAN]
    • EINECS 274-093-3
    • HMS1569O08
    • Cefotetan (JP17/USP/INN)
    • (6R,7S)-7-{4-[carbamoyl(carboxy)methylidene]-1,3-dithietane-2-amido}-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • CCG-220473
    • GTPL10936
    • (6R,7S)-7-(4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carboxamido)-7-methoxy-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • A836615
    • NS00011561
    • BSPBio_000606
    • Q2602246
    • 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
    • EN300-19766312
    • (6R,7S)-7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]-oxomethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • HY-N6670
    • (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Prestwick0_000473
    • SR-01000842155-3
    • NCGC00016914-01
    • (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid
    • 69712-56-7
    • CEFOTETAN [MART.]
    • C06886
    • CEFOTETAN [INN]
    • BCP10745
    • Prestwick1_000473
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl)carbonyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7alpha))-
    • AMY28799
    • HMS3713O08
    • NSC-760045
    • CAS-69712-56-7
    • Prestwick3_000473
    • CEFOTETAN [WHO-DD]
    • HMS2096O08
    • (6R,7S)-7-[[4-[1-azanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-ylidene]-1,3-dithietan-2-yl]carbonylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • CEFOTETAN [USP MONOGRAPH]
    • AB00513847
    • CHEMBL474579
    • AC-2141
    • Cefotetan (JP18/USP/INN)
    • SRZNHPXWXCNNDU-RHBCBLIFSA-N
    • Cefotetan
    • MDL: MFCD00864983
    • Inchi: 1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1
    • InChI Key: SRZNHPXWXCNNDU-IXOPCIAXSA-N
    • SMILES: S1CC(CSC2=NN=NN2C)=C(C(=O)O)N2C([C@]([C@@H]12)(NC(C1S/C(=C(/C(=O)O)\C(N)=O)/S1)=O)OC)=O

Computed Properties

  • Exact Mass: 575.00200
  • Monoisotopic Mass: 575.002
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 9
  • Complexity: 1090
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 321

Experimental Properties

  • Color/Form: No data available
  • Density: 1.5157 (rough estimate)
  • Melting Point: 173-178°C (dec.)
  • Boiling Point: No data available
  • Flash Point: No data available
  • Refractive Index: 1.7400 (estimate)
  • PSA: 321.13000
  • LogP: -0.36840
  • Merck: 1934

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Cefotetan Production Method

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