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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-,sodium salt (1:1), (6R,7R)- (27164-46-1)

Identification
Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-,sodium salt (1:1), (6R,7R)-
Synonyms:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-,monosodium salt, (6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-,monosodium salt (8CI);3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid sodium salt;Acef;Ancef;Atirin;Biazolina;Bor-Cefazol;Cefacidal;Cefazil;Cefazoliin;Cefazolin sodium;Cefazoline sodium;Cephazolin sodium;Cephazolin sodiumsalt;Firmacef;Gramaxin;Kefzol;Lampocef;Liviclina;Monosodium cafazolin;Reflin;SKF 41558;Sodium cefazolin;Sodium cephazolin;Totacef;Zolicef;
CAS:27164-46-1
EINECS: 248-278-4
Molecular Formula: C14H14N8O4S3. Na
Molecular Weight: 476.48899
InChI: InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1
Molecular Structure: (C14H14N8O4S3.Na) 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl...
Properties
Stability:Stable, but may be heat sensitive - store in cool conditions. May discolour upon exposure to light - store in the dark. Incompatible with strong oxidizing agents.
Water Solubility:H2O: 50 mg/mL
Solubility:50 mg/mL in water
Appearance:Yellowish-white odorless, crystalline powder
Specification:

The Cefazolin sodium salt, with the?CAS registry number 27164-46-1, has the IUPAC name of sodium 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. For being a kind of white to off-white powder, it is stable chemically but is incompatible with strong oxidizing agents. As to its usage, it is usually used as the semi-synthetic antibiotic derived from 7-amino-cepphalosporanic acid. In addition, its product categories are including Active Pharmaceutical Ingredients; API; Antibiotics for Research and Experimental Use; beta-Lactams (Antibiotics for Research and Experimental Use); Biochemistry; Antibiotic Explorer; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds; A - KResearch Essentials.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 12; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 226.14; (7)Exact Mass: 476.011958; (8)MonoIsotopic Mass: 476.011958;

For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. If by inhalation, in contact with skin and if swallowed, it will be very dangerous. Besides, this chemical may cause sensitisation by inhalation and skin contact. Therefore, you should wear suitable protective clothing and gloves. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and then remember not to breathe dust.?

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+]
(2)InChI: InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1
(3)InChIKey: FLKYBGKDCCEQQM-UHFFFAOYSA-M?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 2200mg/kg (2200mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 424, 1979.
?
dog LD50 subcutaneous 4gm/kg (4000mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING
Chemotherapy Vol. 18, Pg. 528, 1970.
human TDLo intramuscular 14mg/kg/D (14mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

GASTROINTESTINAL: NAUSEA OR VOMITING

SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"
Japan Medical Gazette. Vol. 8(8), Pg. 10, 1971.
mouse LD50 intraperitoneal 6200mg/kg (6200mg/kg) ? Drugs in Japan Vol. 6, Pg. 404, 1982.
mouse LD50 intravenous 3900mg/kg (3900mg/kg) ? Journal of Infectious Diseases. Vol. 128, Pg. S379, 1973.
?
mouse LD50 oral > 11gm/kg (11000mg/kg) ? Chemotherapy Vol. 18, Pg. 528, 1970.
mouse LD50 subcutaneous 7600mg/kg (7600mg/kg) ? Journal of Infectious Diseases. Vol. 128, Pg. S379, 1973.
?
rabbit LD50 intravenous 2500mg/kg (2500mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 424, 1979.
?
rabbit LD50 subcutaneous > 6gm/kg (6000mg/kg) ? Chemotherapy Vol. 18, Pg. 528, 1970.
rat LD50 intraperitoneal 7400mg/kg (7400mg/kg) ? Drugs in Japan Vol. 6, Pg. 404, 1982.
rat LD50 intravenous 2760mg/kg (2760mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Chemotherapy Vol. 35(Suppl,
rat LD50 oral > 11gm/kg (11000mg/kg) ? Chemotherapy Vol. 18, Pg. 528, 1970.
rat LD50 subcutaneous 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Japan Medical Gazette. Vol. 8(8), Pg. 10, 1971.
women TDLo intravenous 660mg/kg/11D- (660mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Nephron. Vol. 45, Pg. 72, 1987.
?

Usage:

Semi-synthetic antibiotic derived from 7-amino-cepphalosporanic acid. An antibacterial

Safety Data
Hazard Symbols Xn:Harmful
 

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