CAS 709031-43-6

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 709031-43-6, Tert-butyl n-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate, Boc-saxagliptin, Tert-butyl [(1s)-2-[(1s,3s,5s)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate, Saxagliptin impurity 16, Bcp06845

Molecular Formula

C₂₃H₃₃N₃O₄

Molecular Weight

415.5 g/mol

InChI Key

DZEAFYQJPRVNIQ-UHFFFAOYSA-N

1 2D Structure

CAS 709031-43-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate

2.1.2 InChI

InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)

2.1.3 InChI Key

DZEAFYQJPRVNIQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(C(=O)N1C(CC2C1C2)C#N)C34CC5CC(C3)CC(C5)(C4)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 709031-43-6

2. Tert-butyl N-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate

3. Boc-saxagliptin

4. Tert-butyl [(1s)-2-[(1s,3s,5s)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate

5. Saxagliptin Impurity 16

6. Bcp06845

7. Saxagliptin Impurity 16 Pound>>n-[(1s)-2-[(1s,3s,5s)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]-carbamic Acid 1,1-dimethylethyl Ester

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₃N₃O₄
Molecular Weight	415.5 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	415.24710654 g/mol
Monoisotopic Mass	415.24710654 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	810
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

709031-45-8

End Use API

Saxagliptin Hydrochloride

About the Company

CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...

CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.

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