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Cefotetan disodium

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Name

Cefotetan disodium

EINECS 277-834-9
CAS No. 74356-00-6 Density N/A
PSA 331.27000 LogP 0.27540
Solubility N/A Melting Point N/A
Formula C17H15N7Na2O8S4 Boiling Point 798℃
Molecular Weight 619.592 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 74356-00-6 (Disodium (7R)-7-[[4-(carbamoyl-carboxylato-methylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate) Hazard Symbols HarmfulXn
Synonyms

Apatef;Cefotan;Cefotetan disodium;Cefotetan sodium;Ceftenon;Cepan Darvilen;YM 09330;Yamatetan;(6R,7S)-4-((2-Carboxy-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)carbamoyl)-1,3-dithietane-D2,a-malonamic Acid Disodium Salt;(6R,7S)-7-(4-(Carbamoylcarboxymethylene)-1,3-dithietane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Disodium Salt;

Article Data 2

Cefotetan disodium Specification

The Cefotetan disodium, with the CAS registry number 74356-00-6 and EINECS registry number 277-834-9, has the systematic name of disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 -carboxylate. And the molecular formula of this chemical is C17H15N7Na2O8S4.

The Cefotetan disodium is a semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. And the drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms

The physical properties of Cefotetan disodium are as following: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 15; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 289.56 Å2.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].O=C2N1/C(=C(\CS[C@@H]1[C@]2(OC)NC(=O)C3S/C(S3)=C(/C(=O)N)C([O-])=O)CSc4nnnn4C)C([O-])=O
(2)InChI: InChI=1/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1
(3)InChIKey: ZQQALMSFFARWPK-PURSDDKEBK

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. -, Pg. 565, 1990.
dog LD50 oral > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. -, Pg. 661, 1995.
man TDLo intravenous 800mg/kg/4W-I (800mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Annals of Internal Medicine. Vol. 116, Pg. 522, 1992.
man TDLo intravenous 814mg/kg/18D- (814mg/kg) KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS

SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"
American Journal of Kidney Diseases. Vol. 16, Pg. 259, 1990.
monkey LD50 oral > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. -, Pg. 661, 1995.
mouse LD50 intraperitoneal 8120mg/kg (8120mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Chemotherapy Vol. 30(Suppl,
mouse LD50 intravenous 4990mg/kg (4990mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Chemotherapy Vol. 30(Suppl,
mouse LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 565, 1990.
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 565, 1990.
rabbit LD50 intravenous > 6gm/kg (6000mg/kg)   Drugs in Japan Vol. -, Pg. 565, 1990.
rat LD50 intraperitoneal 8250mg/kg (8250mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Chemotherapy Vol. 30(Suppl,
rat LD50 intravenous 6790mg/kg (6790mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Chemotherapy Vol. 30(Suppl,
rat LD50 oral > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 565, 1990.
rat LD50 subcutaneous > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. -, Pg. 565, 1990.

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