CAS No.41136-22-5,Ceftezole sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41136-22-5
Name:	Ceftezole sodium

Formula:	C₁₃H₁₂N₈O₄S₃.Na
Molecular Weight:	463.47
Synonyms:	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-,monosodium salt, (6R-trans)- (9CI);Celoslin;Sodium7-[(1H-tetrazol-4-yl)acetyl]-3-(1,3,4-thiadiazol-5-ylthio)cephalosporanate;
EINECS:	1592732-453-0
Density:	2.09 g/cm3
PSA:	237.76000
LogP:	-1.95040

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Specification

The Ceftezole sodium with CAS registry number of 41136-22-5 is also known as Alomen. The IUPAC name is Sodium (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. In addition, the formula is C₁₃H₁₂N₈O₄S₃.Na and the molecular weight is 463.47.

Physical properties about Ceftezole sodium are: (1)#H bond acceptors: 12; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 234.93Å²; (5)Tautomer Count: 4; (6)Exact Mass: 461.996308; (7)MonoIsotopic Mass: 461.996308; (8)Topological Polar Surface Area: 238; (9)Heavy Atom Count: 29; (10)Complexity: 716; (11)Defined Atom StereoCenter Count: 2; (12)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]
2. Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+]
3. InChI: InChI=1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/p-1/t8-,11-;/m1./s1
4. InChIKey: UGUMHWUOXWFPFH-JHQAJZDGSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	> 4gm/kg (4000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: NAUSEA OR VOMITING	Chemotherapy Vol. 24, Pg. 671, 1976.
mouse	LD50	intraperitoneal	8900mg/kg (8900mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Chemotherapy Vol. 24, Pg. 671, 1976.
mouse	LD50	intravenous	4700mg/kg (4700mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Chemotherapy Vol. 24, Pg. 671, 1976.
mouse	LD50	oral	> 15gm/kg (15000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: NAUSEA OR VOMITING	Chemotherapy Vol. 24, Pg. 671, 1976.
mouse	LD50	subcutaneous	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Chemotherapy Vol. 24, Pg. 671, 1976.
rabbit	LD50	intravenous	> 3gm/kg (3000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR	Chemotherapy Vol. 24, Pg. 671, 1976.
rabbit	LD50	subcutaneous	> 7gm/kg (7000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Chemotherapy Vol. 24, Pg. 671, 1976.
rat	LD50	intraperitoneal	> 11520mg/kg (11520mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Chemotherapy Vol. 24, Pg. 671, 1976.
rat	LD50	intravenous	3800mg/kg (3800mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Chemotherapy Vol. 24, Pg. 671, 1976.
rat	LD50	oral	> 20gm/kg (20000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: NAUSEA OR VOMITING	Chemotherapy Vol. 24, Pg. 671, 1976.
rat	LD50	subcutaneous	> 15gm/kg (15000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Chemotherapy Vol. 24, Pg. 671, 1976.