CAS No.23239-41-0,Cefacetrile sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23239-41-0
Name:	Cefacetrile sodium

Formula:	C13H13 N3 O6 S . Na
Molecular Weight:	361.33
Synonyms:	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(cyanoacetyl)amino]-8-oxo-, monosodium salt,(6R,7R)- (9CI); 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[(cyanoacetyl)amino]-8-oxo-, monosodium salt, (6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-(2-cyanoacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), monosodium salt(8CI); 7-Cyanoacetylaminocephalosporanic acid sodium salt; Ba 36278; CIBA36278Ba; Cefacetrile sodium; Celospor; Celtol; Cephacetrile sodium;Cephacetrile-Na; Sodium3-(acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Sodium 7-(2-cyanoacetamido)cephalosporanic acid; Sodium7-cyanacetamidocephalosporanate; Sodium cefacetril; Sodium cefacetrile; Sodiumcephacetrile; Vetimast
EINECS:	245-513-2
Density:	g/cm³
Boiling Point:	757.5°Cat760mmHg
Flash Point:	412°C
Safety:	Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion and intramuscular routes. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NO_x, SO_x, Na₂O, and CN⁻. See also NITRILES.
PSA:	168.42000
LogP:	-0.14752

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Chemistry

Empirical Formula of Cefacetrile sodium (CAS NO.23239-41-0): C₁₃H₁₂N₃NaO₆S
Molecular Weight: 361.3056
EINECS: 245-513-2
Flash Point: 412 °C
Boiling Point: 757.5 °C at 760 mmHg
Vapour Pressure: 4.02E-25 mmHg at 25 °C
Structure of Cefacetrile sodium (CAS NO.23239-41-0):

IUPAC Name of Cefacetrile sodium (CAS NO.23239-41-0): sodium(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+]
Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+]
InChI: InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1
InChIKey: GXCRUTWHNMMJEK-WYUVZMMLSA-M

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intramuscular	500mg/kg (500mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
dog	LDLo	intravenous	6gm/kg (6000mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
dog	LDLo	oral	500mg/kg (500mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
guinea pig	LD50	subcutaneous	240mg/kg (240mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
mouse	LD50	intramuscular	8800mg/kg (8800mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 1, 1976.
mouse	LD50	intravenous	3700mg/kg (3700mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1459, 1974.
mouse	LD50	oral	19gm/kg (19000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Yakkyoku. Pharmacy. Vol. 29, Pg. 487, 1978.
mouse	LD50	subcutaneous	7500mg/kg (7500mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1459, 1974.
rabbit	LDLo	intravenous	300mg/kg (300mg/kg)	KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
rat	LD50	intramuscular	7700mg/kg (7700mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 1, 1976.
rat	LD50	intravenous	3100mg/kg (3100mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 1, 1976.
rat	LD50	oral	15100mg/kg (15100mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 222, 1978.
rat	LD50	subcutaneous	11600mg/kg (11600mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion and intramuscular routes. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NO_x, SO_x, Na₂O, and CN⁻. See also NITRILES.

Specification

Cefacetrile sodium ,its cas register number is 23239-41-0. It also can be called Sodium 7-(2-cyanoacetamido)cephalosporanic acid ; Cephacetrile sodium ; Sodium (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate and Monosodium (6R,7R)-7-(2-cyanoacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate .