Jinan Chenghui Shuangda Chemical

CAS 76028-96-1

Chemistry, 2 End Use API, 6 Related Intermediates

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Also known as: 76028-96-1, (2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-butoxy-1-oxopropan-2-yl)oxyiminoacetic acid, 1,2,4-thiadiazole-3-acetic acid, 5-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, (z)-, Schembl10848336, (2e)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(1-butoxy-1-oxopropan-2-yl)oxy]imino}acetic acid, Bda02896

Molecular Formula

C₁₁H₁₆N₄O₅S

Molecular Weight

316.34 g/mol

InChI Key

HBJZQUOXCNYJOA-AUWJEWJLSA-N

1 2D Structure

CAS 76028-96-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-butoxy-1-oxopropan-2-yl)oxyiminoacetic acid

2.1.2 InChI

InChI=1S/C11H16N4O5S/c1-3-4-5-19-10(18)6(2)20-14-7(9(16)17)8-13-11(12)21-15-8/h6H,3-5H2,1-2H3,(H,16,17)(H2,12,13,15)/b14-7-

2.1.3 InChI Key

HBJZQUOXCNYJOA-AUWJEWJLSA-N

2.1.4 Canonical SMILES

CCCCOC(=O)C(C)ON=C(C1=NSC(=N1)N)C(=O)O

2.1.5 Isomeric SMILES

CCCCOC(=O)C(C)O/N=C(/C1=NSC(=N1)N)\C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 76028-96-1

2. (2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-butoxy-1-oxopropan-2-yl)oxyiminoacetic Acid

3. 1,2,4-thiadiazole-3-acetic Acid, 5-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, (z)-

4. Schembl10848336

5. (2e)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(1-butoxy-1-oxopropan-2-yl)oxy]imino}acetic Acid

6. Bda02896

7. As-83322

8. A865565

2.2.2 Other Synonyms

1. 76028-96-1

2. Cas 76028-96-1

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆N₄O₅S
Molecular Weight	316.34 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	165
Heavy Atom Count	21
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Imidazo[1,2-b]pyridazine

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CAS Number

766-55-2

End Use API

Cefozopran

About the Company

Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is fo...

Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is formally established in March, 2002. It is a high-tech enterprise professionally producing pharmaceutical intermediates and fine chemical products inland. The company is located in Chengchuang industrial park, high-tech development district, Ji’nan, the capital city of Shandong Province. It is 1km far from Longitude Ten Road which is the main road of Jinan city, 5km from high way surrounding Ji’nan city and 25km from Yaoqiang airport in Ji’nan. It has superior geographic location and the traffic is very convenient.

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