CAS No.21593-23-7,cefapirin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21593-23-7
Name:	cefapirin
Article Data:	11

Formula:	C₁₇H₁₇N₃O₆S₂
Molecular Weight:	423.47
Synonyms:	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R-trans)-;7-[2-(4-Pyridylthio)acetamido]cephalosporanic acid;Cephapirin;Cephapirine;Cephaprin;
EINECS:	244-466-5
Density:	1.573 g/cm³
Melting Point:	>135 °C (dec.)
Boiling Point:	783.902 °C at 760 mmHg
Flash Point:	427.889 °C
Appearance:	Beige Solid
PSA:	179.99000
LogP:	1.25360

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Specification

The Cefapirin, with the CAS registry number 21593-23-7, is also known as 7-[2-(4-Pyridylthio)acetamido]cephalosporanic acid. It belongs to the product categories of Aromatics; Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. Its EINECS number is 244-466-5. This chemical's molecular formula is C₁₇H₁₇N₃O₆S₂ and molecular weight is 423.47. What's more, its systematic name is (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Its classification codes are: (1)Anti-Bacterial Agents; (2)Anti-Infective Agents; (3)Antibiotics; (4)Drug / Therapeutic Agent; (5)Human Data. It is a kind of cephalosporin antibiotic, partly plasma-bound, that is effective against gram-negative and gram-positive organisms.

Physical properties of Cefapirin are: (1)ACD/LogP: -0.412; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -4.11; (5)ACD/BCF (pH 5.5): 1.00 ; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 176.5 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 102.748 cm³; (15)Molar Volume: 269.145 cm³; (16)Polarizability: 40.733×10^-24cm³; (17)Surface Tension: 83.9 dyne/cm; (18)Density: 1.573 g/cm³; (19)Flash Point: 427.889 °C; (20)Enthalpy of Vaporization: 119.627 kJ/mol; (21)Boiling Point: 783.902 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: 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/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)/t13-,16-/m1/s1
(3)Std. InChIKey: UQLLWWBDSUHNEB-CZUORRHYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	intravenous	514ug/kg/9D-I (.514mg/kg)	LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"	Drug Intelligence and Clinical Pharmacy. Vol. 19, Pg. 553, 1985.
mouse	LD50	intraperitoneal	8899mg/kg (8899mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
mouse	LD50	intravenous	> 7602mg/kg (7602mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
mouse	LD50	oral	26088mg/kg (26088mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: IRRITABILITY BEHAVIORAL: ATAXIA	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
mouse	LD50	subcutaneous	13556mg/kg (13556mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
rat	LD50	intraperitoneal	7850mg/kg (7850mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
rat	LD50	intravenous	6048mg/kg (6048mg/kg)	SENSE ORGANS AND SPECIAL SENSES: "RETINAL CHANGES (PIGMENTARY DEPOSITIONS, RETINITIS, OTHER): EYE" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
rat	LD50	oral	16356mg/kg (16356mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: IRRITABILITY	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.
rat	LD50	subcutaneous	> 14400mg/kg (14400mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 21, Pg. 279, 1974.