CAS 246035-38-1

Also known as: 246035-38-1, Cid 10927678, S-2-benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxy-carbonylmethioacetate, Methyl 2-[(z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate, (z)-methyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)acetate, Ec 700-101-6

Molecular Formula

C₁₅H₁₂N₄O₄S₃

Molecular Weight

408.5 g/mol

InChI Key

OAMJLTUHASKYSM-UNOMPAQXSA-N

1 2D Structure

CAS 246035-38-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate

2.1.2 InChI

InChI=1S/C15H12N4O4S3/c1-22-11(20)6-23-19-12(9-7-24-14(16)17-9)13(21)26-15-18-8-4-2-3-5-10(8)25-15/h2-5,7H,6H2,1H3,(H2,16,17)/b19-12-

2.1.3 InChI Key

OAMJLTUHASKYSM-UNOMPAQXSA-N

2.1.4 Canonical SMILES

COC(=O)CON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2

2.1.5 Isomeric SMILES

COC(=O)CO/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 246035-38-1

2. Cid 10927678

3. S-2-benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxy-carbonylmethioacetate

4. Methyl 2-[(z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxyacetate

5. (z)-methyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)acetate

6. Ec 700-101-6

7. Dtxsid901115180

8. Mfcd08704788

9. Akos015963328

10. Ac-5573

11. As-15775

12. Methyl ((((1z)-1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene)amino)oxy)acetate

13. 035b381

14. A817391

15. J-502638

16. (z)-methyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-yloxy)-2-thioxoethylidene)amino)oxy)acetate

17. (z)-methyl2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)acetate

18. 2-mercaptobenzotriazoyl-(z)-2-(2-aminothiazole-4-yl)-2-(methyoxycarbonyl Methoxyimino)acetate(mica Ester)

19. Methyl 2-[[(z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]acetate

20. Methyl 2-[[1-(2-aminothiazol-4-yl)-2-(1,3-benzothiazol-2-yloxy)-2-thioxo-ethylidene]amino]oxyacetate;s-2-benzothiazolyl (z)-2-(2-aminothiazole-4-yl)-2-methoxy-carbonylmethioacetate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₂N₄O₄S₃
Molecular Weight	408.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	408.00206840 g/mol
Monoisotopic Mass	408.00206840 g/mol
Topological Polar Surface Area	199 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	565
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

79349-82-9

End Use API

Cefixime

About the Company

Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in...

Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in Xiangyang City, Hubei Province Xiangcheng Economic Development Zone, is a key intermediate cephalosporin antibiotics, APIs, DDP-4 hypoglycemic agents , Development, production and sales of specialized pharmaceutical companies. In 2016 the company obtained the national high-tech enterprise certification. Company under the Hubei Ling Sheng Pharmaceutical Co., Ltd. Wuhan Branch. The company has the core technology, is currently the industry's major oral cephalosporin antibiotics API production base.

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Ethyl (Z)-2-(2-Aminothi azole-4-yl)-2-Hydroxyimi no Ace...

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64485-82-1

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Cefixime

About the Company

Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medic...

Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medicinal industry enterprise integrating R&D, manufacturing，marketing and contract manufacture of Intermediates, API and Amino acid. She owns the GMP workshops and USA FDA site inspected the API division at May, 2007, intermediates division at Jan., 2009.R&D center is a State Certificate Enterprise and Postdoctoral Workstation. She has acquired USA FDA and SFDA approval and got GMP and certificates.

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