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CAS No.: | 24356-60-3 |
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Name: | Cefapirin sodium |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C17H17N3O6S·2Na |
Molecular Weight: | 445.452 |
Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-(hydroxymethyl)-8-oxo-7-[2-(4-pyridylthio)acetamido]-, acetate (ester),monosodium salt (8CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodiumsalt, (6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodiumsalt, (6R-trans)-;Ambrocef;BLP1322;Brisfirina;Cef-Lak;Cefadyl;Cefaloject;Cefatrexyl;Cephapirin sodium;Cephatrexil;NSC179171;Piricef;Sodium cefapirin;Sodium cephapirin; |
EINECS: | 246-194-2 |
Boiling Point: | 783.9 °C at 760 mmHg |
Flash Point: | 427.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-42/43 |
Safety: | 26-36 |
PSA: | 179.33000 |
LogP: | -0.53050 |
The Temocillin disodium salt, with the CAS registry number 24356-60-3, is also known as 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, monosodiumsalt, (6R,7R)- (9CI). Its EINECS number is 246-194-2. This chemical's molecular formula is C17H17N3O6S·2Na and molecular weight is 446.48. What's more, its systematic name is Sodium (6R,7R)-3-(acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. Its classification codes are: (1)Antibacterial; (2)Drug / Therapeutic Agent; (3)Human Data; (4)Reproductive Effect. This chemical is a cephalosporin antibiotic, partly plasma-bound, that is effective against gram-negative and gram-positive organisms.
Physical properties of Temocillin disodium salt are: (1)ACD/LogP: 0.792; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 167.71 Å2; (7)Flash Point: 427.9 °C; (8)Enthalpy of Vaporization: 119.63 kJ/mol; (9)Boiling Point: 783.9 °C at 760 mmHg; (10)Vapour Pressure: 6.98E-26 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)CSc3ccncc3)COC(=O)C)C([O-])=O
(2)Std. InChI: InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1
(3)Std. InChIKey: VGEOUKPOQQEQSX-OALZAMAHSA-M
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 2500mg/kg (2500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 424, 1979. | |
man | TDLo | intramuscular | 350mg/kg/6D (350mg/kg) | BLOOD: AGRANULOCYTOSIS | Antimicrobial Agents and Chemotherapy. Vol. 1, Pg. 174, 1972. |
man | TDLo | intravenous | 7429ug/kg/8W- (7.429mg/kg) | KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS | Drug Intelligence and Clinical Pharmacy. Vol. 21, Pg. 380, 1987. |
mouse | LD50 | intraperitoneal | 8899mg/kg (8899mg/kg) | Drugs in Japan Vol. 6, Pg. 405, 1982. | |
mouse | LD50 | intravenous | 4600mg/kg (4600mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 424, 1979. | |
mouse | LD50 | oral | 26088mg/kg (26088mg/kg) | Drugs in Japan Vol. 6, Pg. 405, 1982. | |
mouse | LD50 | subcutaneous | 13556mg/kg (13556mg/kg) | Drugs in Japan Vol. 6, Pg. 405, 1982. | |
rabbit | LD50 | intravenous | 3gm/kg (3000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 424, 1979. | |
rat | LD50 | intraperitoneal | 7850mg/kg (7850mg/kg) | Drugs in Japan Vol. 6, Pg. 405, 1982. | |
rat | LD50 | intravenous | 4580mg/kg (4580mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 424, 1979. | |
rat | LD50 | oral | 16356mg/kg (16356mg/kg) | Drugs in Japan Vol. 6, Pg. 405, 1982. | |
rat | LD50 | subcutaneous | > 14400mg/kg (14400mg/kg) | Drugs in Japan Vol. 6, Pg. 405, 1982. |