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.
? |
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