(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid (CAS 60846-21-1) — formula C16H17N5O7S2, molecular weight 455.5; category organic chemicals.
| CAS Number | 60846-21-1 |
|---|---|
| Molecular Formula | C16H17N5O7S2 |
| Molecular Weight | 455.5 |
| LogP | -0.5 |
| Applications | Uses: Use (kg, approx.) in Germany (2009): >1000, Use (kg, exact) in Germany (2009): 2035, Consumption (g per capita, approx.) in Germany (2009): 0.0122, exact) in Germany (2009): 0.0249, Excretion rate: 0.51, Calculated removal (%): 22 |
| Category | Organic Chemicals |
Documented applications: Uses: Use (kg, approx.) in Germany (2009): >1000, Use (kg, exact) in Germany (2009): 2035, Consumption (g per capita, approx.) in Germany (2009): 0.0122, exact) in Germany (2009): 0.0249, Excretion rate: 0.51, Calculated removal (%): 22.
(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid is a carbon-based organic compound with CAS registry number 60846-21-1 and molecular formula C16H17N5O7S2 (molecular weight 455.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 60846-21-1
Its molecular formula C16H17N5O7S2 comprises 16 C, 17 H, 5 N, 7 O, 2 S atoms.
Also known as: (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid · (6R,7R)-3-(乙酰氧基甲基)-7-((Z)-2-(2-氨基噻唑-4-基)-2-(甲氧基氨亚基)乙酰氨基)-8-氧亚基-5-硫杂-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸
Category: organic chemicals
The CAS registry number of (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid is 60846-21-1.
Molecular formula C16H17N5O7S2, molecular weight 455.5.
It is also registered under: (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid, (6R,7R)-3-(乙酰氧基甲基)-7-((Z)-2-(2-氨基噻唑-4-基)-2-(甲氧基氨亚基)乙酰氨基)-8-氧亚基-5-硫杂-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸.
Recorded applications: Uses: Use (kg, approx.) in Germany (2009): >1000, Use (kg, exact) in Germany (2009): 2035, Consumption (g per capita, approx.) in Germany (2009): 0.0122, exact) in Germany (2009): 0.0249, Excretion rate: 0.51, Calculated removal (%): 22.
Category: Organic Chemicals.
Independent reference data for (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid (CAS 60846-21-1), compiled from public chemistry databases.
| CAS 号 | 60846-21-1 |
|---|---|
| PubChem CID | 5742673 |
| 分子式 | C16H17N5O7S2 |
| IUPAC 名称 | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| UNII（FDA） | N2GI8B1GK7 |
| Molecular Weight | 455.5 |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 455.05694025 |
| Monoisotopic Mass | 455.05694025 |
| Topological Polar Surface Area | 227 |
| Heavy Atom Count | 30 |
| Solubility | 1.46e-01 g/L |
|---|---|
| LogP | -0.5 |
| LogP | -0.13 |
cefotaxime; 63527-52-6; Cephotaxime; Cefotaxima; Cefotaximum; Cefotaxim Hikma; CHEBI:204928; N2GI8B1GK7; DTXSID6022761; Cefotaxim; Cephotaxim; Klaforan; Primafen; RefChem:54734; J01DA10; DTXCID501476108
| 已通报的危害声明 | H315 (58.8%), H317 (100%), H319 (58.8%), H334 (100%), H335 (58.8%) |
|---|
(6R,7R)-3-(乙酰氧基甲基)-7-((Z)-2-(2-氨基噻唑-4-基)-2-(甲氧基氨亚基)乙酰氨基)-8-氧亚基-5-硫杂-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸 · CAS 60846-21-1 · C16H17N5O7S2. UNII N2GI8B1GK7. Solubility: 1.46e-01 g/L; LogP: -0.5; LogP: -0.13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (6R,7R)-3-(乙酰氧基甲基)-7-((Z)-2-(2-氨基噻唑-4-基)-2-(甲氧基氨亚基)乙酰氨基)-8-氧亚基-5-硫杂-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸