3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
Basic information
- CAS
438540-91-1- Standard SMILES
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1- InChIKey
MLYYVTUWGNIJIB-UHFFFAOYSA-N- Molecular formula
- C14H14N8O4S3
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.03001448
Overview
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin.
Names & identifiers
- Preferred name
- 3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- IUPAC
- 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- cefazolin
- Molecular formula
- C14H14N8O4S3
- Molecular weight
- 454.51
Names & synonyms
DTXSID10860354438540-91-13-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidRefChem:1066252DTXCID902087503-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCephamezine;Cephazoline3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-[(5-methyl(1,3,4-thiadiazol-2-ylthio))methyl]-6-oxo-7-(2-(1,2,3,4-tetraazoly l)acetylamino)-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylic acidOprea1_319479
Show more names
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 740
Experimental & physicochemical properties
DrugsPharmaceuticals
Solubility49.7 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin.
Related reactions
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Compound notes
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