CAS No.53994-73-3,Cefaclor Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53994-73-3
Name:	Cefaclor
Article Data:	4

Formula:	C₁₅H₁₄ClN₃O₄S
Molecular Weight:	367.813
Synonyms:	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, [6R-[6a,7b(R*)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)- (9CI);7-(D-2-Amino-2-phenylacetamido)-3-chloro-3-cephem-4-carboxylic acid;Alfacet;Ceclor;Distaclor;Kefral;Lilly 99638;3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid;Raniclor;S 6472;
EINECS:	258-909-5
Density:	1.624 g/cm³
Boiling Point:	713.395 °C at 760 mmHg
Flash Point:	385.248 °C
Solubility:	Soluble in water, insoluble in methanol, chloroform, benzene.
Appearance:	white crystalline solid
Hazard Symbols:	Xn,Xi
Risk Codes:	42/43
Safety:	22-36/37-45
PSA:	138.03000
LogP:	1.65040

Raw Materials

700-63-0

24461-61-8

53994-69-7

Total:151 Page 1 of 4 1 2 3 4 Next>>

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Specification

The Cefaclor, with the CAS registry number 53994-73-3, is also known as 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid. It belongs to the product categories of A - KAntibiotics; Antibacterial; Antibiotics A to; Antibiotics A-F Antibiotics; Chemical Structure Class; Interferes with Cell Wall Synthesis Antibiotics; Mechanism of Action; Penicillins and Cephalosporins (beta-Lactams); Spectrum of Activity. Its EINECS number is 258-909-5. This chemical's molecular formula is C₁₅H₁₄ClN₃O₄S and molecular weight is 367.81. What's more, its systematic name is (6R,7R)-7-{[(2R)-2-Amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Its classification codes are: (1)Anti-Bacterial Agents; (2)Anti-Infective Agents; (3)Drug / Therapeutic Agent; (4)Human Data; (5)Reproductive Effect. This chemical should be sealed and stored in a cool and dry place. It can be prepared by p-Nitrobenzyl-7-amino-3-chloro-3-cephalosporin-4-carboxylic acid ester, ozone, thionyl chloride, 2-aminophenylacetic acid. This substance is a antibiotics. It has antibacterial effect stronger than cephalosporins hydroxyl ampicillin. It is mainly used for urinary tract infection, upper respiratory tract infection, and facial skin soft tissue infection such as infection.

Physical properties of Cefaclor are: (1)ACD/LogP: 0.137; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -3.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 138.03 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 89.62 cm³; (15)Molar Volume: 226.483 cm³; (16)Polarizability: 35.528×10^-24cm³; (17)Surface Tension: 84.9 dyne/cm; (18)Density: 1.624 g/cm³; (19)Flash Point: 385.248 °C; (20)Enthalpy of Vaporization: 109.494 kJ/mol; (21)Boiling Point: 713.395 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by inhalation and skin contact. You should not breathe dust. When using it, you need wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N1/C(=C(/Cl)CS[C@@H]1[C@@H]2NC(=O)[C@@H](c3ccccc3)N)C(=O)O
(2)Std. InChI: InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
(3)Std. InChIKey: QYIYFLOTGYLRGG-GPCCPHFNSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	oral	131mg/kg/7D-I (131mg/kg)	MUSCULOSKELETAL: JOINTS SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Canadian Medical Association Journal. Vol. 126, Pg. 1032, 1982.
infant	TDLo	oral	525mg/kg/7D-I (525mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Canadian Medical Association Journal. Vol. 126, Pg. 1032, 1982.
mouse	LD50	intraperitoneal	1227mg/kg (1227mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Chemotherapy Vol. 27(Suppl,
mouse	LD50	oral	> 20gm/kg (20000mg/kg)		Chemotherapy Vol. 27(Suppl,
mouse	LD50	oral	> 20gm/kg (20000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA	Chemotherapy Vol. 27(Suppl,
mouse	LD50	subcutaneous	4180mg/kg (4180mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Chemotherapy Vol. 27(Suppl,
rat	LD50	intraperitoneal	1259mg/kg (1259mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Chemotherapy Vol. 27(Suppl,
rat	LD50	oral	> 20gm/kg (20000mg/kg)		Chemotherapy Vol. 27(Suppl,
rat	LD50	oral	> 20gm/kg (20000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: ATAXIA	Chemotherapy Vol. 27(Suppl,
rat	LD50	subcutaneous	4838mg/kg (4838mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Chemotherapy Vol. 27(Suppl,