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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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CAS Number

1009119-83-8

End Use API

Daclatasvir

About the Company

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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