Vitalpharms

CAS 1416134-48-9

Chemistry, 1 End Use API, 6 Related Intermediates

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1 Suppliers

Also known as: 1416134-48-9, Avibactam impurity 9, Avibactam int 1, Ethyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid, (2s,5r)-5-[(phenylmethoxy)amino]-2-piperidinecarboxylic acid ethyl ester ethanedioate, (2s,5r)-5-((phenylmethoxy)amino)-2-piperidinecarboxylic acid ethyl ester ethanedioate

Molecular Formula

C₁₇H₂₄N₂O₇

Molecular Weight

368.4 g/mol

InChI Key

PYUXATUBICTSNB-DFQHDRSWSA-N

1 2D Structure

CAS 1416134-48-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid

2.1.2 InChI

InChI=1S/C15H22N2O3.C2H2O4/c1-2-19-15(18)14-9-8-13(10-16-14)17-20-11-12-6-4-3-5-7-12;3-1(4)2(5)6/h3-7,13-14,16-17H,2,8-11H2,1H3;(H,3,4)(H,5,6)/t13-,14+;/m1./s1

2.1.3 InChI Key

PYUXATUBICTSNB-DFQHDRSWSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1CCC(CN1)NOCC2=CC=CC=C2.C(=O)(C(=O)O)O

2.1.5 Isomeric SMILES

CCOC(=O)[C@@H]1CC[C@H](CN1)NOCC2=CC=CC=C2.C(=O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1416134-48-9

2. Avibactam Impurity 9

3. Avibactam Int 1

4. Ethyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic Acid

5. (2s,5r)-5-[(phenylmethoxy)amino]-2-piperidinecarboxylic Acid Ethyl Ester Ethanedioate

6. (2s,5r)-5-((phenylmethoxy)amino)-2-piperidinecarboxylic Acid Ethyl Ester Ethanedioate

7. (2s,5r)-5-methyl-5-[(benzyloxy)amino]piperidine-2-carboxylate Ethanedioate

8. Amy9259

9. Cs-m3476

10. Mfcd29918783

11. Akos027327324

12. Ethyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate Ethanedioate

13. Ac-29296

14. Ds-11356

15. A858353

16. (2s,5r)-ethyl5-((benzyloxy)amino)piperidine-2-carboxylateoxalate

17. (2s,5r)-5-[(phenylmethoxy)amino]-2-piperidinecarboxylic Acid Ethyl Ester Ethanedioate;(2s,5r)-ethyl 5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate

2.3 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₄N₂O₇
Molecular Weight	368.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	368.15835111 g/mol
Monoisotopic Mass	368.15835111 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

1416134-48-9

Intermediate Name

(2S, 5R) -benzyloxyaminopiperidine-...

About the Company

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.

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