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Ceftezole sodium
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Name

Ceftezole sodium

 EINECS 1592732-453-0
CAS No. 41136-22-5 Density 2.09 g/cm3
PSA 237.76000 LogP -1.95040
Solubility N/A Melting Point N/A
Formula C13H12N8O4S3.Na Boiling Point N/A
Molecular Weight 463.47 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41136-22-5 (Ceftezole sodium) Hazard Symbols N/A
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;

 

Ceftezole sodium 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.

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