Cas no 104145-95-1 (Cefditoren)

Cefditoren structure
Cefditoren structure
Product Name:Cefditoren
CAS No:104145-95-1
MF:C19H18N6O5S3
MW:506.58
MDL:MFCD00865118
CID:91268
PubChem ID:9870843
Update Time:2025-04-28

Cefditoren Chemical and Physical Properties

Names and Identifiers

    • Cefditoren
    • Cefditoren main-ring
    • (6R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • [6R-[3(Z),6a,7b(Z)]]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-carboxylic acid
    • 2(3H)-Furanone, 3-[1-[(4-chlorophenyl)amino]ethylidene]dihydro-, (Z)-
    • 3-[(Z)-2-(4-methyl-5-thiazolyl)vinyl]-7-[(Z)-(2-aminothiazolyl-4-yl)-2-(methoxyimino)acet
    • 3-[1-(4-chloroanilino)ethylidene]dihydro-2(3H)-furanone
    • AG-B-94913
    • Cefditoren acid
    • CTK1I4736
    • NCI60_028807
    • (6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cefditoren-13C-D3
    • (6R,7R)-7-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido-3-(1Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid
    • DB01066
    • (+)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((Z)-2-(4-methyl-5-thiazolyl)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime)
    • cefditorenum
    • Cefditoren [INN]
    • EN300-21702526
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl)amino)-3-((Z)-2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (6R,7R)-
    • C21546
    • CHEMBL1743
    • 7beta-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido-3-((Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl)-3,4-didehydrocepham-4-carboxylic acid
    • 7beta-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,4-didehydrocepham-4-carboxylic acid
    • CEFDITOREN [WHO-DD]
    • UNII-81QS09V3YW
    • PD194305
    • (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-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-2-carboxylic acid, 7-((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (6R-(3(Z),6alpha,7beta(Z)))-
    • DTXSID501328012
    • CEFDITOREN [MI]
    • (6R-(3(Z),6alpha,7beta(Z)))-7-((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • Cefditoren (INN)
    • (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Cefditoreno
    • CEFDITOREN [VANDF]
    • D07639
    • 81QS09V3YW
    • C-2467
    • Cefditoren [USAN:INN]
    • CHEBI:59343
    • (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • SCHEMBL37473
    • (6R,7R)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3-((Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    • CDTR
    • Cefditorene, Antibiotic for Culture Media Use Only
    • 104145-95-1
    • J01DD16
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (6R,7R)-
    • cefditorene
    • MDL: MFCD00865118
    • Inchi: 1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1
    • InChI Key: KMIPKYQIOVAHOP-YLGJWRNMSA-N
    • SMILES: S1CC(/C=C\C2=C(C)N=CS2)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N\OC)=O)=O

Computed Properties

  • Exact Mass: 506.05034
  • Monoisotopic Mass: 506.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 7
  • Complexity: 928
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 242A^2

Experimental Properties

  • Density: 1.75
  • Melting Point: 127-129 °C
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.825
  • PSA: 160.1
  • LogP: 2.00100

Cefditoren Pricemore >>

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Enamine
EN300-21702526-0.05g
(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
104145-95-1
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$636.0 2023-09-16

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