Nuray Chemicals Private Limited

CAS 93779-31-8

Chemistry, 1 End Use API, 7 Related Intermediates

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Also known as: 93779-31-8, Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate, (s,s,s)-2-azabicyclo[3,3,0]-octane-carboxylic acid benzylester hydrochloride, (s)-benzyl endo, cis-2-azabicyclo [3,3,0]octanecarboxylate, (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride, Schembl2001189

Molecular Formula

C₁₅H₁₉NO₂

Molecular Weight

245.32 g/mol

InChI Key

KEDWLCOPRDSQBB-IHRRRGAJSA-N

1 2D Structure

CAS 93779-31-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate

2.1.2 InChI

InChI=1S/C15H19NO2/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14/h1-3,5-6,12-14,16H,4,7-10H2/t12-,13-,14-/m0/s1

2.1.3 InChI Key

KEDWLCOPRDSQBB-IHRRRGAJSA-N

2.1.4 Canonical SMILES

C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3

2.1.5 Isomeric SMILES

C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)OCC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 93779-31-8

2. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate

3. (s,s,s)-2-azabicyclo[3,3,0]-octane-carboxylic Acid Benzylester Hydrochloride

4. (s)-benzyl Endo, Cis-2-azabicyclo [3,3,0]octanecarboxylate

5. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

6. Schembl2001189

7. Dtxsid30529012

8. (2s,3as,6as)-benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate

9. Act01825

10. Zinc12958284

11. Akos015998608

12. 779b318

13. J-501024

14. Benzyl (1s,3s,5s)-2-azabicyclo[3.3.0]-octane-3-carboxylate

15. Benzyl (ls,3s,5s)-2-azabicyclo[3.3.0]octane-3-carboxylate

16. Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate

17. (1s,3s,5s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid Benzyl Ester

18. (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylic Acid Benzyl Ester Hydrochloride

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉NO₂
Molecular Weight	245.32 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	245.141578849 g/mol
Monoisotopic Mass	245.141578849 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

1821-12-1

End Use API

Ramipril

About the Company

Established in 2012, Nuray Chemicals Pvt Ltd is an API manufacturer for highly regulated markets. Its man...

Established in 2012, Nuray Chemicals Pvt Ltd is an API manufacturer for highly regulated markets. Its manufacturing facility with state-of-the-art R&D is located near Chennai in the Indian state of Tamil Nadu. Nuray’s expertise and experience lie in developing the chemistry requirements of the pharmaceutical industry, including the synthesis of NCEs, impurities, metabolites, method development, advanced intermediates and APIs for commercial launch. With its focus on maintaining the highest levels of quality, reliability and transparency, Nuray has emerged as a trusted partner in the global generic market.