CAS 1009119-83-8

Chemistry, 2 End Use API, 8 Related Intermediates

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Also known as: 1009119-83-8, Hcv-in-29, 2-[(2s)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2s)-pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazole;tetrahydrochloride, 4,4'-bis(2-((s)-pyrrolidin-2-yl)-1h-imidazol-5-yl)-1,1'-biphenyl 4hcl, 1h-imidazole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2s)-2-pyrrolidinyl-, hydrochloride (1:4), 2-((2s)-pyrrolidin-2-yl)-5-(4-(4-(2- ((2s)-pyrrolidin-2-yl)-1h-imidazol -5-yl)phenyl)phenyl)-1himidazole tetrahydrochloride

Molecular Formula

C₂₆H₃₂Cl₄N₆

Molecular Weight

570.4 g/mol

InChI Key

AYOXSBJGFNPGNK-VDUNKYASSA-N

1 2D Structure

CAS 1009119-83-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole;tetrahydrochloride

2.1.2 InChI

InChI=1S/C26H28N6.4ClH/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22;;;;/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)(H,30,32);4*1H/t21-,22-;;;;/m0..../s1

2.1.3 InChI Key

AYOXSBJGFNPGNK-VDUNKYASSA-N

2.1.4 Canonical SMILES

C1CC(NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6.Cl.Cl.Cl.Cl

2.1.5 Isomeric SMILES

C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6.Cl.Cl.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1009119-83-8

2. Hcv-in-29

3. 2-[(2s)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2s)-pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1h-imidazole;tetrahydrochloride

4. 4,4'-bis(2-((s)-pyrrolidin-2-yl)-1h-imidazol-5-yl)-1,1'-biphenyl 4hcl

5. 1h-imidazole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2s)-2-pyrrolidinyl-, Hydrochloride (1:4)

6. 2-((2s)-pyrrolidin-2-yl)-5-(4-(4-(2- ((2s)-pyrrolidin-2-yl)-1h-imidazol -5-yl)phenyl)phenyl)-1himidazole Tetrahydrochloride

7. Ec 807-342-7

8. Amy8888

9. Mfcd28404675

10. Akos027250597

11. Ac-29069

12. Ds-11475

13. Hy-136266

14. Cs-0121086

15. A850076

16. 5,5'-(4,4'-biphenyldiyl)bis{2-[(2s)-2-pyrrolidinyl]-1h-imidazole} Tetrahydrochloride

17. 5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2s)-2-pyrrolidinyl-1h-imidazole] 4hcl

18. 5;5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2s)-2-pyrrolidinyl Hydrochloride

19. 1h-imidazole, 5,5-[1,1-biphenyl]-4,4-diylbis[2-(2s)-2-pyrrolidinyl-, Hydrochloride (1:4)

20. 1h-imidazole,5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2s)-2-pyrrolidinyl-, Hydrochloride (1:4)

21. 1h-imidazole,5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2s)-2-pyrrolidinyl-,hydrochloride (1:4)

22. 1h-imidazole,5,5,-[1,1,-biphenyl]-4,4\'-diylbis[2-(2s)-2-pyrrolidinyl-,hydrochloride (1:4)

2.3 Create Date

2015-09-16

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₂Cl₄N₆
Molecular Weight	570.4 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	570.141306 g/mol
Monoisotopic Mass	568.144256 g/mol
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	547
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	5

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5,5'-[1,1'-Biphenyl]-4,4'-diylbis[2-(2S)-2-pyrrolidinyl...

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CAS Number

CAS-1009119-83-8

End Use API

Daclatasvir

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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