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CAS 709031-45-8

CAS 709031-45-8

Chemistry, 2 End Use API, 15 Related Intermediates

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CAS 709031-45-8

Also known as: 709031-45-8, (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonic acid, 2-azabicyclo[3.1.0]hexane-3-carboxamide, (1s,3s,5s)-,monomethanesulfonate, Schembl16653161, Dtxsid90467729, Bcp21262

Molecular Formula

C₇H₁₄N₂O₄S

Molecular Weight

222.26 g/mol

InChI Key

WPIYZQBALIBMAA-SHLRHQAISA-N

1 2D Structure

CAS 709031-45-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonic acid

2.1.2 InChI

InChI=1S/C6H10N2O.CH4O3S/c7-6(9)5-2-3-1-4(3)8-5;1-5(2,3)4/h3-5,8H,1-2H2,(H2,7,9);1H3,(H,2,3,4)/t3-,4-,5-;/m0./s1

2.1.3 InChI Key

WPIYZQBALIBMAA-SHLRHQAISA-N

2.1.4 Canonical SMILES

CS(=O)(=O)O.C1C2C1NC(C2)C(=O)N

2.1.5 Isomeric SMILES

CS(=O)(=O)O.C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 709031-45-8

2. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide;methanesulfonic Acid

3. 2-azabicyclo[3.1.0]hexane-3-carboxamide, (1s,3s,5s)-,monomethanesulfonate

4. Schembl16653161

5. Dtxsid90467729

6. Bcp21262

7. Akos016013245

8. Ac-26982

9. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamidemethanesulfonate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄N₂O₄S
Molecular Weight	222.26 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	222.06742811 g/mol
Monoisotopic Mass	222.06742811 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	250
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	2

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CAS Number

709031-45-8

Intermediate Name

(1S,3S,5S)-2-azabicyclo[3.1.0]hexan...

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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