CAS 81918-01-6

Chemistry, 2 End Use API, 1 Related Intermediates

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Also known as: 81918-01-6, Diethyl 2-[(4-chlorobenzoyl)amino]propanedioate, Diethyl 4-chlorobenzamidomalonate, Propanedioic acid, [(4-chlorobenzoyl)amino]-, diethyl ester, Diethyl (4-chlorobenzamido)propanedioate, Schembl4652134

Molecular Formula

C₁₄H₁₆ClNO₅

Molecular Weight

313.73 g/mol

InChI Key

KTKBMOLVXVIHQA-UHFFFAOYSA-N

1 2D Structure

CAS 81918-01-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl 2-[(4-chlorobenzoyl)amino]propanedioate

2.1.2 InChI

InChI=1S/C14H16ClNO5/c1-3-20-13(18)11(14(19)21-4-2)16-12(17)9-5-7-10(15)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,16,17)

2.1.3 InChI Key

KTKBMOLVXVIHQA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=C(C=C1)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 81918-01-6

2. Diethyl 2-[(4-chlorobenzoyl)amino]propanedioate

3. Diethyl 4-chlorobenzamidomalonate

4. Propanedioic Acid, [(4-chlorobenzoyl)amino]-, Diethyl Ester

5. Diethyl (4-chlorobenzamido)propanedioate

6. Schembl4652134

7. Dtxsid90543274

8. Ac6869

9. Mfcd09031363

10. Zinc21992711

11. Akos009087907

12. Sy033664

13. Diethyl-2-[4-(chlorobenzoyl)amino]malonate

14. Cs-0455998

15. Ft-0664583

16. Ft-0699025

17. A864482

18. Diethyl {[(4-chlorophenyl)carbonyl]amino}propanedioate

19. [(4-chlorobenzoyl)-amino]-propanedioic Acid Diethyl Ester

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆ClNO₅
Molecular Weight	313.73 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	313.0717003 g/mol
Monoisotopic Mass	313.0717003 g/mol
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	362
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

4876-10-2

End Use API

Rebamipide

About the Company

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in deliveri...

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in delivering efficiencies to generic players globally. Founded in 2017 by a team with vast experience across the pharmaceutical value chain, the company is on a mission to become the most preferred partner for pharmaceuticals. At Aurore, we aim to push the boundaries to manufacture and deliver high quality products that can be relied upon by both customers and regulators. Our thrust on rapidly adding capabilities have led us to acquire, integrate and expand our reach across the geographies.

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