CAS 709031-43-6 manufacturers and suppliers on PharmaCompass

CAS 709031-43-6

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 1 Related Intermediates

1 Suppliers
1 End Use APIs
1 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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