5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, trans-(+-)- (CAS 50918-36-0) — formula C14H14N8O4S3, molecular weight 454.5; category organic chemicals.
| CAS Number | 50918-36-0 |
|---|---|
| Molecular Formula | C14H14N8O4S3 |
| Molecular Weight | 454.5 |
| Melting Point | 198-200 °C (decomposes) |
| LogP | -0.58 |
| Applications | Uses: Vet: Antibacterial ... usually quite active against many gram-positive bacteria ... moderately active against gram-negative bacteria ... relatively susceptible to beta-lactamases ... not as effective against anaerobes as ... penicillins., First-generation cephalosporins, Mesh Heading: anti-bacterial agents, MEDICATION, Use (kg, approx.) in Germany (2009): >10000, exact) in Germany (2009): 10132, Use (kg) in USA (2002): 4740, Consumption (g per capita, approx.) in Germany (2009): 0.122, exact) in Germany (2009): 0.124, Consumption (g per capita) in the USA (2002): 0.0168, Excretion rate: 1, Calculated removal (%): 22, Methods of Manufacturing: 7-AMINOCEPHALOSPORANIC ACID IS CONVERTED TO ITS SODIUM SALT & ACETYLATED WITH 1H-TETRAZOLE-1-ACETYL CHLORIDE & ACETOXY GROUP IS THEN DISPLACED BY REACTION WITH 5-METHYL-1, 3, 4-THIADIAZOLE-2-THIOL IN BUFFER SOLN. ...IS ISOLATED AS CEFAZOLIN (ACID) & CONVERTED TO SODIUM SALT WITH SODIUM BICARBONATE., CEFAZOLIN SODIUM SALT, Formulations, Preparations: Trade Name ... Kefzol, Zolicef, From table, Parenteral: For injection: 500 mg (of cefazolin) Ancef, (GlaxoSmithKline), Cefazolin Sodium for Injection, (American Pharmaceutical Partners), (Sandoz), 1 g (of cefazolin) Ancef, 10 g (of cefazolin) pharmacy bulk package Ancef, 20 g (of cefazolin) pharmacy bulk package Cefazolin Sodium for Injection, (American Pharmaceutical Partners). For injection, .for IV infusion: 1 g (of cefazolin) Ancef Piggyback, (Abbott), Cefazolin Sodium ADD-Vantage ( with 0.04% polysorbate 80), Cefazolin Sodium for Injection Piggyback, (Sandoz)., Cefazolin sodium, General Manufacturing Information: Semi-synthetic antibiotic derived from 7-aminocephalosporanic acid, ... South African patent 6804513 corresponds to US patent 3516997 (1969, 1970 to Fujisawa). |
| Category | Organic Chemicals |
Documented applications: Uses: Vet: Antibacterial ... usually quite active against many gram-positive bacteria ... moderately active against gram-negative bacteria ... relatively susceptible to beta-lactamases ... not as effective against anaerobes as ... penicillins., First-generation cephalosporins, Mesh Heading: anti-bacterial agents, MEDICATION, Use (kg, approx.) in Germany (2009): >10000, exact) in Germany (2009): 10132, Use (kg) in USA (2002): 4740, Consumption (g per capita, approx.) in Germany (2009): 0.122, exact) in Germany (2009): 0.124, Consumption (g per capita) in the USA (2002): 0.0168, Excretion rate: 1, Calculated removal (%): 22, Methods of Manufacturing: 7-AMINOCEPHALOSPORANIC ACID IS CONVERTED TO ITS SODIUM SALT & ACETYLATED WITH 1H-TETRAZOLE-1-ACETYL CHLORIDE & ACETOXY GROUP IS THEN DISPLACED BY REACTION WITH 5-METHYL-1, 3, 4-THIADIAZOLE-2-THIOL IN BUFFER SOLN. ...IS ISOLATED AS CEFAZOLIN (ACID) & CONVERTED TO SODIUM SALT WITH SODIUM BICARBONATE., CEFAZOLIN SODIUM SALT, Formulations, Preparations: Trade Name ... Kefzol, Zolicef, From table, Parenteral: For injection: 500 mg (of cefazolin) Ancef, (GlaxoSmithKline), Cefazolin Sodium for Injection, (American Pharmaceutical Partners), (Sandoz), 1 g (of cefazolin) Ancef, 10 g (of cefazolin) pharmacy bulk package Ancef, 20 g (of cefazolin) pharmacy bulk package Cefazolin Sodium for Injection, (American Pharmaceutical Partners). For injection, .for IV infusion: 1 g (of cefazolin) Ancef Piggyback, (Abbott), Cefazolin Sodium ADD-Vantage ( with 0.04% polysorbate 80), Cefazolin Sodium for Injection Piggyback, (Sandoz)., Cefazolin sodium, General Manufacturing Information: Semi-synthetic antibiotic derived from 7-aminocephalosporanic acid, ... South African patent 6804513 corresponds to US patent 3516997 (1969, 1970 to Fujisawa)..
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, trans-(+-)- is a carbon-based organic compound with CAS registry number 50918-36-0 and molecular formula C14H14N8O4S3 (molecular weight 454.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50918-36-0
Its molecular formula C14H14N8O4S3 comprises 14 C, 14 H, 8 N, 4 O, 3 S atoms.
Also known as: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, trans-(+-)- · 5-Thia-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸，3-[[(5-甲基-1,3,4-噻二唑-2-基)硫基]甲基]-8-氧代-7-[(1H-四唑-1-基乙酰基)氨基]-，反式-(+-)-
Category: organic chemicals
The CAS registry number of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, trans-(+-)- is 50918-36-0.
Molecular formula C14H14N8O4S3, molecular weight 454.5.
It is also registered under: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, trans-(+-)-, 5-Thia-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸，3-[[(5-甲基-1,3,4-噻二唑-2-基)硫基]甲基]-8-氧代-7-[(1H-四唑-1-基乙酰基)氨基]-，反式-(+-)-.
Recorded applications: Uses: Vet: Antibacterial ... usually quite active against many gram-positive bacteria ... moderately active against gram-negative bacteria ... relatively susceptible to beta-lactamases ... not as effective against anaerobes as ... penicillins., First-generation cephalosporins, Mesh Heading: anti-bacterial agents, MEDICATION, Use (kg, approx.) in Germany (2009): >10000, exact) in Germany (2009): 10132, Use (kg) in USA (2002): 4740, Consumption (g per capita, approx.) in Germany (2009): 0.122, exact) in Germany (2009): 0.124, Consumption (g per capita) in the USA (2002): 0.0168, Excretion rate: 1, Calculated removal (%): 22, Methods of Manufacturing: 7-AMINOCEPHALOSPORANIC ACID IS CONVERTED TO ITS SODIUM SALT & ACETYLATED WITH 1H-TETRAZOLE-1-ACETYL CHLORIDE & ACETOXY GROUP IS THEN DISPLACED BY REACTION WITH 5-METHYL-1, 3, 4-THIADIAZOLE-2-THIOL IN BUFFER SOLN. ...IS ISOLATED AS CEFAZOLIN (ACID) & CONVERTED TO SODIUM SALT WITH SODIUM BICARBONATE., CEFAZOLIN SODIUM SALT, Formulations, Preparations: Trade Name ... Kefzol, Zolicef, From table, Parenteral: For injection: 500 mg (of cefazolin) Ancef, (GlaxoSmithKline), Cefazolin Sodium for Injection, (American Pharmaceutical Partners), (Sandoz), 1 g (of cefazolin) Ancef, 10 g (of cefazolin) pharmacy bulk package Ancef, 20 g (of cefazolin) pharmacy bulk package Cefazolin Sodium for Injection, (American Pharmaceutical Partners). For injection, .for IV infusion: 1 g (of cefazolin) Ancef Piggyback, (Abbott), Cefazolin Sodium ADD-Vantage ( with 0.04% polysorbate 80), Cefazolin Sodium for Injection Piggyback, (Sandoz)., Cefazolin sodium, General Manufacturing Information: Semi-synthetic antibiotic derived from 7-aminocephalosporanic acid, ... South African patent 6804513 corresponds to US patent 3516997 (1969, 1970 to Fujisawa)..
Category: Organic Chemicals.
Independent reference data for 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, trans-(+-)- (CAS 50918-36-0), compiled from public chemistry databases.
| CAS 号 | 50918-36-0 |
|---|---|
| PubChem CID | 33255 |
| 分子式 | C14H14N8O4S3 |
| IUPAC 名称 | (6R,7R)-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 |
| UNII（FDA） | IHS69L0Y4T |
| Molecular Weight | 454.5 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 454.03001448 |
| Monoisotopic Mass | 454.03001448 |
| Topological Polar Surface Area | 235 |
| Heavy Atom Count | 29 |
| Melting Point | 198-200 °C (decomposes) |
|---|---|
| Solubility | 4.87e-01 g/L |
| LogP | -0.58 |
| LogP | log Kow = -0.58 |
| LogP | -0.24 |
cefazolin; 25953-19-9; Cephazolin; Cefazoline; Cephamezine; Cefamezin; Cephazoline; Cephazolidin; Cefazolina; Cefazolinum; Elzogram; DTXSID2022753; IHS69L0Y4T; J01DB04; CHEBI:474053; DTXCID302753
| 已通报的危害声明 | H317 (100%), H334 (100%) |
|---|
5-Thia-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸，3-[[(5-甲基-1,3,4-噻二唑-2-基)硫基]甲基]-8-氧代-7-[(1H-四唑-1-基乙酰基)氨基]-，反式-(+-)- · CAS 50918-36-0 · C14H14N8O4S3. UNII IHS69L0Y4T. Melting Point: 198-200 °C (decomposes); Solubility: 4.87e-01 g/L; LogP: -0.58.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-Thia-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸，3-[[(5-甲基-1,3,4-噻二唑-2-基)硫基]甲基]-8-氧代-7-[(1H-四唑-1-基乙酰基)氨基]-，反式-(+-)-