Saptagir Laboratories

CAS 1171080-45-7

Chemistry, 2 End Use API, 11 Related Intermediates

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Also known as: 1171080-45-7, Benzyl (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid, Benzyl (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate, Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate ethanedioate, Schembl15309424, Ex-a2293b

Molecular Formula

C₂₂H₂₆N₂O₇

Molecular Weight

430.5 g/mol

InChI Key

AMOSSTKBTVKFNW-VOMIJIAVSA-N

1 2D Structure

CAS 1171080-45-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C20H24N2O3.C2H2O4/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17;3-1(4)2(5)6/h1-10,18-19,21-22H,11-15H2;(H,3,4)(H,5,6)/t18-,19+;/m1./s1

2.1.3 InChI Key

AMOSSTKBTVKFNW-VOMIJIAVSA-N

2.1.4 Canonical SMILES

C1CC(NCC1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

2.1.5 Isomeric SMILES

C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1171080-45-7

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

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

4. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Ethanedioate

5. Schembl15309424

6. Ex-a2293b

7. Amy19463

8. Cs-m3164

9. Wwb08045

10. Mfcd29472311

11. At10876

12. 2-piperidinecarboxylic Acid, 5-[(phenylmethoxy)amino]-, Phenylmethyl Ester, (2s,5r)-, Ethanedioate (1:1)

13. Ds-19729

14. (2s,5r)-benzyl5-((benzyloxy)amino)piperidine-2-carboxylateoxalate

15. (2s,5r)-benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate Ee

16. Benzyl (2s,5r)-5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate

2.3 Create Date

2012-12-03

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₆N₂O₇
Molecular Weight	430.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	430.17400117 g/mol
Monoisotopic Mass	430.17400117 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	464
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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Boc-L-pyroglutamic acid benzyl ester

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CAS Number

1134-00-36-5

End Use API

Relebactam

About the Company

Saptagir Laboratories Private incorporated in 2016, is a manufacturer and supplier of Active Pharmaceutic...

Saptagir Laboratories Private incorporated in 2016, is a manufacturer and supplier of Active Pharmaceutical Ingredients (APIs) and Intermediates for a wide range of therapeutic categories specifically focusing on Anti-Fungal and Anti-Platelets. Our vision is to attain market leadership in development of innovator molecules for the domestic and export market. We are one of the leading manufacturers in Asia for Terbinafine Hydrochloride, Prasugrel, Ezetimibe, Solifenacine Succinate and Pregabalin. DMF and EU Written Confirmation is available for our premier product; Terbinafine Hydrochloride. CEP & Korean DMF are under filing.

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