CAS 220352-39-6

Chemistry, 3 End Use API, 71 Related Intermediates

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Also known as: 220352-39-6, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r,3r)-2,3-dihydroxybutanedioate, Cyclopropanamine,2-(3,4-difluorophenyl)-(1r,2s)-(2r,3r)-2,3-dihydroxybutanedioate, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r,3r)-2,3-dihydroxybutanedioic acid, Schembl1509199, Dtxsid40680608

Molecular Formula

C₁₃H₁₅F₂NO₆

Molecular Weight

319.26 g/mol

InChI Key

FXPRRXBPZROCLZ-ABXGAMCJSA-N

1 2D Structure

CAS 220352-39-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C9H9F2N.C4H6O6/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;5-1(3(7)8)2(6)4(9)10/h1-3,6,9H,4,12H2;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9+;1-,2-/m01/s1

2.1.3 InChI Key

FXPRRXBPZROCLZ-ABXGAMCJSA-N

2.1.4 Canonical SMILES

C1C(C1N)C2=CC(=C(C=C2)F)F.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 220352-39-6

2. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r,3r)-2,3-dihydroxybutanedioate

3. Cyclopropanamine,2-(3,4-difluorophenyl)-(1r,2s)-(2r,3r)-2,3-dihydroxybutanedioate

4. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r,3r)-2,3-dihydroxybutanedioic Acid

5. Schembl1509199

6. Dtxsid40680608

7. Amy38691

8. Mfcd22648279

9. Akos016004944

10. Ds-3824

11. Ex-7183

12. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine(2r,3r)-2,3-dihydroxysuccinate

13. Cs-0157171

14. C74114

15. A878789

16. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine L-tartaric Acid

17. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2r,3r)-2,3-dihydroxybutanedioic Acid

18. (2r,3r)-2,3-dihydroxybutanedioic Acid--(1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1)

2.3 Create Date

2011-05-31

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅F₂NO₆
Molecular Weight	319.26 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	319.08674352 g/mol
Monoisotopic Mass	319.08674352 g/mol
Topological Polar Surface Area	141 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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

220352-39-6

End Use API

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About the Company

Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...

Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.

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220352-39-6

End Use API

Ticagrelor

About the Company

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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