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23736-58-5

Basic Information
CAS No.: 23736-58-5
Name: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)
Molecular Structure:
Molecular Structure of 23736-58-5 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1))
Formula: 2(C19H18ClN3O5S).C16H20N2
Molecular Weight: 676.236
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-, compd. with N,N'-dibenzylethylenediamine (2:1) (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1);1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, bis[(2S,5R,6R)-6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-1-carboxylate] (9CI);Benzathine cloxacillin;Boviclox;Cloxacillin benzathin;Noroclox DC;Opticlox;Orbenin Dry Cow;Triclox;
EINECS: 245-855-2
Density: 1.56 g/cm3
Melting Point: N/A
Boiling Point: 689.7oC at 760 mmHg
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 164.93000
LogP: 4.89060
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    Product Name: Cloxacillin benzathine CAS RN.:23736-58-5 EINECS:245-855-2 Molecular Weight:1112.106 Molecular Formula:C54H56Cl2N8O10S2 Boiling Point(℃):689.7°C at 760 mmHg Flash Point(℃):370.9°C Appearance:white powder Package:8kg/car

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  •  Zibo Dorne chemical technology co. LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-13583358881

    Address:No. 416, 4th floor, zhongguancun science and technology city, no. 1, west 6th road, zhangdian district

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  • Cloxacillin benzathine

  • Casno:

    23736-58-5

    Cloxacillin benzathine

    Min.Order: 1 Gram

    FOB Price:  USD $ 2.0-2.0/Gram

    Hangzhou KieRaychem Co.,Ltd.is located in Yuhang District of Hangzhou City and specialized in the chemical product customization, development, sales, import and export. Current business is focused on fine chemicals, pharmaceutical materials and inter

    Hangzhou KieRaychem Co.,Ltd.is located in Yuhang District of Hangzhou City and specialized in the chemical product customization, development, sales, import and export. Current bus

  •  Hangzhou KieRay Chem Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-15336573147

    Address:Room 260, Building 3, No. 76 Xingqiao North Road, Xingqiao Street, Yuhang District, Hangzhou City, Zhejiang Province, China

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  • Cloxacillin benzathine

  • Casno:

    23736-58-5

    Cloxacillin benzathine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    ISO Factory/Good qualityAppearance:off white Storage:dry and cool place Package:10G/BAG; 1KG/BAG ;25KG/DRUM Application:Active pharaceutical ingredients Transportation:BY SEA,AIR,EXPRESS Port:SHANGHAI;BEIJING

    Wuhan Vanz Pharm Inc. is a manufacturer&trading company.

  •  Hubei Vanz Pharm Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:86-27-84492310

    Address:FANHU INDUSTRY PARK

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  • Cloxacillin benzathine

  • Casno:

    23736-58-5

    Cloxacillin benzathine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Lower price, sample is available,SDS test documents are available,large stock in warehouseAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:Fine chemical intermediates, used as the main raw material for the synthe

    GIHI CHEMICALS CO.,LIMITED, its former company is a small manufacturer who is specialized in the production of ester products which are used in the daily chemicals ,cosmetic produc

  •  GIHI CHEMICALS CO.,LIMITED

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-571-86217390

    Address:No.567 Dengcai Street,Sandun,Westlake District,Hangzhou310030,Zhejiang,China.

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Specification

The Cloxacillin benzathine, with the cas registry number 23736-58-5, is also known as 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1). Its EINECS number is 245-855-2. This chemical's molecular formula is 2(C19H18ClN3O5S).C16H20N2 and formula weight is 1112.11. What's more, both its IUPAC name and systematic name are the same which is called (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; N,N'-dibenzylethane-1,2-diamine. This chemical's classification code is Anti-Bacterial Agents; Anti-Infective Agents; Antibacterial.

Physical properties about this chemical are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -1.2; (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: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 118.25 Å2; (13)Flash Point: 370.9 °C; (14)Enthalpy of Vaporization: 106.17 kJ/mol; (15)Boiling Point: 689.7 °C at 760 mmHg; (16)Vapour Pressure: 5.65E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
(2)Isomeric SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
(3)InChI: InChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1
(4)InChIKey: COCFKSXGORCFOW-VZHMHXRYSA-N