CAS No.62893-20-3,Cefoperazone sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62893-20-3
Name:	Cefoperazone sodium
Article Data:	5

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

Synthetic route

: 62893-19-0, 68779-10-2
cefoperazone

: 62893-20-3
Cefobis

Conditions

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

: 957-68-6
7-Aminocephalosporanic acid

: 62893-20-3
Cefobis

Conditions

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

: iron(II) chloride tetrahydrate

: 62893-20-3
Cefobis

: 1448807-93-9
C25H26N9O8S2(1-)*Fe(2+)*Cl(1-)

Conditions

Conditions	Yield
In methanol at 20℃; for 5h; Inert atmosphere;

: iron(III) chloride hexahydrate

: 62893-20-3
Cefobis

: C25H26N9O8S2(1-)*Fe(3+)*2Cl(1-)*3H2O

Conditions

Conditions	Yield
In methanol at 20℃; for 5h; Inert atmosphere;

: cobalt(II) chloride hexahydrate

: 62893-20-3
Cefobis

: C25H26N9O8S2(1-)*Co(2+)*Cl(1-)*H2O

Conditions

Conditions	Yield
In methanol at 20℃; for 5h; Inert atmosphere;

: nickel(II) chloride hexahydrate

: 62893-20-3
Cefobis

: C25H26N9O8S2(1-)*Ni(1+)*Cl(1-)

Conditions

Conditions	Yield
In methanol at 20℃; for 5h; Inert atmosphere;

: copper(II) choride dihydrate

: 62893-20-3
Cefobis

: C25H26N9O8S2(1-)*Cu(2+)*Cl(1-)*H2O

Conditions

Conditions	Yield
In methanol at 20℃; for 5h; Inert atmosphere;

: 62893-20-3
Cefobis

: 10108-64-2
cadmium(II) chloride

: 1448808-06-7
C25H26N9O8S2(1-)*Cd(2+)*Cl(1-)

Conditions

Conditions	Yield
In methanol at 20℃; for 5h; Inert atmosphere;

: 62893-20-3
Cefobis

: cefoperazone sodium hemihydrate

Conditions

Conditions	Yield
With water; pyrographite at 30℃; for 0.5h; Temperature;	48.5 g

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Specification

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.