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CAS No.: | 62893-20-3 |
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Name: | Cefoperazone sodium |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C25H27N9O8S2. Na |
Molecular Weight: | 667.659 |
Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,monosodium salt, [6R-[6a,7b(R*)]]-;Bioperazone;CP 52640-2;Cefobis;Cefogram;Cefomycin;Cefoneg;Cefoperazone sodium;Cefoperazone sodium salt;Cefosint;Dardum;Farecef;Kefazon;Myticef;Novobiocyl;Pathozone;Peracef;Sodium cefoperazone; |
EINECS: | 263-751-5 |
Melting Point: | 200-202 °C |
Solubility: | Soluble in water. Slightly soluble in alcohol. |
Appearance: | Faint beige powder |
Hazard Symbols: | Xn |
Risk Codes: | 42/43 |
Safety: | 22-36/37 |
PSA: | 273.69000 |
LogP: | -1.85120 |
cefoperazone
Cefobis
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water; acetone at 15 - 25℃; for 0.666667h; pH=6.5 - 6.6; | 98.1% |
With sodium isooctanoate; pyrographite In acetone at 25℃; pH=6.6; Reagent/catalyst; pH-value; | 71.8% |
With sodium carbonate In water; ethyl acetate at 25℃; pH=6.2; Temperature; Solvent; pH-value; | 102.61 g |
With sodium hydrogencarbonate In ethanol; water at 30℃; pH=6; Reagent/catalyst; Solvent; Temperature; pH-value; | 453g |
7-Aminocephalosporanic acid
Cefobis
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: pyridine; titanium tetrachloride; tetrabutoxytitanium / acetonitrile / 3 h / 5 - 30 °C 2: chloro-trimethyl-silane / N,N-dimethyl-formamide / 4 h / -25 - -20 °C 3: sodium isooctanoate; pyrographite / acetone / 25 °C / pH 6.6 View Scheme |
Conditions | Yield |
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In methanol at 20℃; for 5h; Inert atmosphere; |
Conditions | Yield |
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In methanol at 20℃; for 5h; Inert atmosphere; |
Conditions | Yield |
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In methanol at 20℃; for 5h; Inert atmosphere; |
Conditions | Yield |
---|---|
In methanol at 20℃; for 5h; Inert atmosphere; |
Conditions | Yield |
---|---|
In methanol at 20℃; for 5h; Inert atmosphere; |
Conditions | Yield |
---|---|
In methanol at 20℃; for 5h; Inert atmosphere; |
Cefobis
Conditions | Yield |
---|---|
With water; pyrographite at 30℃; for 0.5h; Temperature; | 48.5 g |
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The Cefoperazone Sodium, with the CAS registry number 62893-20-3, has the IUPAC name of sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. Being a kind of faint beige powder, it is usually used as the raw material and intermediate for the Cephems.
The product categories of this chemical are as follows: Intermediates & Fine Chemicals; Pharmaceuticals; Interferes with Cell Wall SynthesisAntibiotics; Penicillins and Cephalosporins (beta-Lactams); A - KAntibiotics; Antibacterial; Antibiotics A to; Antibiotics A-FAntibiotics; Chemical Structure Class; Mechanism of Action; Spectrum of Activity.
The physical properties of this chemical are as below: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 17; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 245.11; (9)Exact Mass: 667.124345; (10)MonoIsotopic Mass: 667.124345; (11)Topological Polar Surface Area: 274; (12)Heavy Atom Count: 45; (13)Complexity: 1250; (14)Defined Atom StereoCenter Count: 3.
When you are dealing with this chemical, you should be much more cautious. For being a kind of harmful chemical, it may cause damage to health and may cause sensitisation by inhalation and skin contact. Therefore, you should wear suitable protective clothing and gloves and remember not to breathe dust.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
(2)Isomeric SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
(3)InChI: InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
(4)InChIKey: NCFTXMQPRQZFMZ-WERGMSTESA-M
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 6gm/kg (6000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Chemotherapy Vol. 28(Suppl, |
human | TDLo | parenteral | 622mg/kg/10D- (622mg/kg) | GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: HEMATURIA BLOOD: OTHER CHANGES | Southern Medical Journal. Vol. 80, Pg. 1360, 1987. |
man | TDLo | intravenous | 57mg/kg/4D-I (57mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION KIDNEY, URETER, AND BLADDER: HEMATURIA BLOOD: HEMORRHAGE | Drug Intelligence and Clinical Pharmacy. Vol. 18, Pg. 314, 1984. |
man | TDLo | unreported | 229mg/kg/4D-I (229mg/kg) | BLOOD: CHANGE IN CLOTTING FACTORS | Annals of Internal Medicine. Vol. 102, Pg. 721, 1985. |
mouse | LD50 | intraperitoneal | 8200mg/kg (8200mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Chemotherapy Vol. 28(Suppl, |
mouse | LD50 | intravenous | 3840mg/kg (3840mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Chemotherapy Vol. 28(Suppl, |
mouse | LD50 | oral | > 15gm/kg (15000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Chemotherapy Vol. 28(Suppl, |
mouse | LD50 | subcutaneous | 13gm/kg (13000mg/kg) | Drugs in Japan Vol. -, Pg. 663, 1995. | |
rat | LD50 | intraperitoneal | > 12gm/kg (12000mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) GASTROINTESTINAL: OTHER CHANGES | Chemotherapy Vol. 28(Suppl, |
rat | LD50 | intravenous | 4260mg/kg (4260mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Chemotherapy Vol. 28(Suppl, |
rat | LD50 | oral | > 12gm/kg (12000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 28(Suppl, |
rat | LD50 | subcutaneous | > 12gm/kg (12000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Chemotherapy Vol. 28(Suppl, |
rat | LD50 | unreported | 3200mg/kg (3200mg/kg) | Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 21, Pg. 356, 1986. | |
women | TDLo | intravenous | 220mg/kg/5D-I (220mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM LARGE INTESTINE BLOOD: HEMORRHAGE | Drug Intelligence and Clinical Pharmacy. Vol. 20, Pg. 281, 1986. |