CAS 153012-37-4

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 153012-37-4, N-boc cefcapene n,n-diisopropylamine, Boc-cefcapene.dipa, Precursor of cefcapene diisopropylanmine salt, (6r,7r)-7-[[(z)-2-(2-t-butoxycarbony laminothiazol-4-yl)-2-pentenoyl]amino]-3-aminocarbonyl oxymethyl-8-oxo-5-thia-1-azabicylo[4.2.0]oct-2-ene-2-carboxylic acid diisopropylamine salt,98+%

Molecular Formula

C₂₉H₄₃N₅O₈S₂

Molecular Weight

653.8 g/mol

InChI Key

IAVQLVKSVQCUFH-SQQJSBOGSA-N

1 2D Structure

CAS 153012-37-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N-propan-2-ylpropan-2-amine

2.1.2 InChI

InChI=1S/C23H28N4O8S2.C6H15N/c1-5-6-12(13-10-36-14(25-13)7-15(28)35-23(2,3)4)18(29)26-16-19(30)27-17(21(31)32)11(8-34-22(24)33)9-37-20(16)27;1-5(2)7-6(3)4/h6,10,16,20H,5,7-9H2,1-4H3,(H2,24,33)(H,26,29)(H,31,32);5-7H,1-4H3/b12-6-;/t16-,20-;/m1./s1

2.1.3 InChI Key

IAVQLVKSVQCUFH-SQQJSBOGSA-N

2.1.4 Canonical SMILES

CCC=C(C1=CSC(=N1)CC(=O)OC(C)(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O.CC(C)NC(C)C

2.1.5 Isomeric SMILES

CC/C=C(/C1=CSC(=N1)CC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O.CC(C)NC(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 153012-37-4

2. N-boc Cefcapene N,n-diisopropylamine

3. Boc-cefcapene.dipa

4. Precursor Of Cefcapene Diisopropylanmine Salt

5. (6r,7r)-7-[[(z)-2-(2-t-butoxycarbony Laminothiazol-4-yl)-2-pentenoyl]amino]-3-aminocarbonyl Oxymethyl-8-oxo-5-thia-1-azabicylo[4.2.0]oct-2-ene-2-carboxylic Acid Diisopropylamine Salt,98+%

2.3 Create Date

2015-11-11

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₄₃N₅O₈S₂
Molecular Weight	653.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	14
Exact Mass	653.25530569 g/mol
Monoisotopic Mass	653.25530569 g/mol
Topological Polar Surface Area	244 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

153012-37-4

End Use API

CEFCAPENE PIVOXIL HYDROCHLORIDE HYDRATE

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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