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CAS 709031-45-8 manufacturers and suppliers on PharmaCompass

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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 Weight 222.26 g/mol
Molecular Formula C7H14N2O4S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass222.06742811 g/mol
Monoisotopic Mass222.06742811 g/mol
Topological Polar Surface Area118 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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URL Supplier Web Content
361440-67-7
Saxagliptin
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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