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| CAS No.: | 23239-41-0 |
|---|---|
| Name: | Cefacetrile sodium |
| Molecular Structure: | |
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| 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 NOx, SOx, 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 NOx, SOx, 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 .