Shree Ganesh Remedies

CAS 105392-26-5

Chemistry, 3 End Use API, 8 Related Intermediates

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Also known as: 105392-26-5, 2-(2,4-dichloro-5-fluoro-benzoyl)-3-cyclopylamino-acrylic-methylester, Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enoate, Methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, Akos015963437, Akos025393444

Molecular Formula

C₁₄H₁₂Cl₂FNO₃

Molecular Weight

332.2 g/mol

InChI Key

SOERDDQRVKVCEI-GLNOBURYSA-N

1 2D Structure

CAS 105392-26-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (Z)-2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate

2.1.2 InChI

InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3/b13-9-,18-6?

2.1.3 InChI Key

SOERDDQRVKVCEI-GLNOBURYSA-N

2.1.4 Canonical SMILES

COC(=O)C(=C(C1=CC(=C(C=C1Cl)Cl)F)O)C=NC2CC2

2.1.5 Isomeric SMILES

COC(=O)/C(=C(/C1=CC(=C(C=C1Cl)Cl)F)\O)/C=NC2CC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 105392-26-5

2. 2-(2,4-dichloro-5-fluoro-benzoyl)-3-cyclopylamino-acrylic-methylester

3. Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enoate

4. Methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

5. Akos015963437

6. Akos025393444

7. Ps-7018

8. A801226

9. Methyl3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

10. 2-(2,4-dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic Acid, Methyl Ester, Mixture Of Isomers, 97%

2.3 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂Cl₂FNO₃
Molecular Weight	332.2 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	331.0178268 g/mol
Monoisotopic Mass	331.0178268 g/mol
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	465
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

6228-73-5

End Use API

Danofloxacin Mesylate

About the Company

Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...

Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose

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