Beijing Mesochem Technology

(1R,2R)-1-Amino-2-(Difluoromethyl)-N-((1-Methylcyclopropyl)Sulfonyl)Cyclopropane-1-Carboxamide Hydrochloride

Chemistry, 5 End Use API, 96 Related Intermediates

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5 Suppliers

5 Suppliers

(1R,2R)-1-Amino-2-(Difluoromethyl)-N-((1-Methylcyclopropyl)Sulfonyl)Cyclopropane-1-Carboxamide Hydrochloride

Also known as: 1360828-80-3, (1r,2r)-1-amino-2-(difluoromethyl)-n-(1-methylcyclopropylsulfonyl)cyclopropanecarboxamide hcl, (1r,2r)-1-amino-2-(difluoromethyl)-n-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride, Schembl16819019, Amy25416, Akos037630882

Molecular Formula

C₉H₁₅ClF₂N₂O₃S

Molecular Weight

304.74 g/mol

InChI Key

UZYZCUJUQSFVGK-XEDRIYAZSA-N

1 2D Structure

(1R,2R)-1-Amino-2-(Difluoromethyl)-N-((1-Methylcyclopropyl)Sulfonyl)Cyclopropane-1-Carboxamide Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride

2.1.2 InChI

InChI=1S/C9H14F2N2O3S.ClH/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11;/h5-6H,2-4,12H2,1H3,(H,13,14);1H/t5-,9+;/m0./s1

2.1.3 InChI Key

UZYZCUJUQSFVGK-XEDRIYAZSA-N

2.1.4 Canonical SMILES

CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)N.Cl

2.1.5 Isomeric SMILES

CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1360828-80-3

2. (1r,2r)-1-amino-2-(difluoromethyl)-n-(1-methylcyclopropylsulfonyl)cyclopropanecarboxamide Hcl

3. (1r,2r)-1-amino-2-(difluoromethyl)-n-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride

4. Schembl16819019

5. Amy25416

6. Akos037630882

7. Ac-30211

8. A924787

9. (1r,2r)-1-amino-2-(difluoromethyl)-n-(1-methylcyclopropylsulfonyl)cyclopropanecarboxamidehcl

10. (1r,2r)-1-amino-2-(difluoromethyl)-n-[(1-methylcyclopropyl)sulfonyl]cyclopropanecarboxamide Hcl

2.3 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₅ClF₂N₂O₃S
Molecular Weight	304.74 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	304.0459975 g/mol
Monoisotopic Mass	304.0459975 g/mol
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

CAS-1173807-85-6

End Use API

Simeprevir

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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