Zhejiang Hengkang Pharmaceutical

CAS 521284-21-9

Chemistry, 4 End Use API, 45 Related Intermediates

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Also known as: 521284-21-9, 345jw7xby4, (1r)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride, Mfcd26407510, (r)-2-((2-(4-nitrophenyl)-ethyl)amino)-1-phenylethanol monohydrochloride, (r)-2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol monohydrochloride

Molecular Formula

C₁₆H₁₉ClN₂O₃

Molecular Weight

322.78 g/mol

InChI Key

LUAUJCGKCGBAKA-NTISSMGPSA-N

FDA UNII

345JW7XBY4

1 2D Structure

CAS 521284-21-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride

2.1.2 InChI

InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1

2.1.3 InChI Key

LUAUJCGKCGBAKA-NTISSMGPSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl

2.2 Other Identifiers

2.2.1 UNII

345JW7XBY4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 521284-21-9

2. 345jw7xby4

3. (1r)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride

4. Mfcd26407510

5. (r)-2-((2-(4-nitrophenyl)-ethyl)amino)-1-phenylethanol Monohydrochloride

6. (r)-2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol Monohydrochloride

7. (r)-alpha-[[(4-nitrophenethyl)amino]methyl]benzyl Alcohol Hydrochloride

8. 2-((2-(4-nitrophenyl)-ethyl)amino)-1-phenylethanol Monohydrochloride, (r)-

9. 2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol Monohydrochloride, (r)-

10. Benzenemethanol, Alpha-(((2-(4-nitrophenyl)ethyl)amino)methyl)-, Hydrochloride (1:1), (alphar)-

11. Benzenemethanol, Alpha-(((2-(4-nitrophenyl)ethyl)amino)methyl)-, Monohydrochloride, (alphar)-

12. Benzenemethanol, Alpha-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, Hydrochloride (1:1), (alphar)-

13. Benzenemethanol, Alpha-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, Monohydrochloride, (alphar)-

14. Unii-345jw7xby4

15. Schembl1405434

16. Dtxsid20736218

17. Akos022171673

18. Ds-5837

19. Ac-26411

20. Cs-0020476

21. A50817

22. (r)-2-((4-nitrophenethyl)amino)-1-phenylethanol Hcl

23. (r)-2-(4-nitrophenethylamino)-1-phenylethanol Hcl

24. (r)-2-((4-nitrophenethyl)amino)-1-phenylethanolhydrochloride

25. (r)-2-(4-nitrophenethylamino)-1-phenylethanol Hydrochloride

26. (r)-2-[[2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol Hydrochloride

27. (r)-2-[[2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol Monohydrochloride

28. (1r)-2-{[2-(4-nitrophenyl)ethyl]amino}-1-phenylethan-1-ol--hydrogen Chloride (1/1)

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉ClN₂O₃
Molecular Weight	322.78 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	322.1084202 g/mol
Monoisotopic Mass	322.1084202 g/mol
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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(R)-N-(4-nitrophenethyl)-2-hydroxy-2-phenylacetamide

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CAS Number

521284-19-5

End Use API

Mirabegron

About the Company

Established in 2004 and headquartered in Hangzhou, Hengkang established multiple factories, research and ...

Established in 2004 and headquartered in Hangzhou, Hengkang established multiple factories, research and sales centers in Zhejiang, Shandong, and Henan. With facilities conforming to global API standards, along with professional R&D and marketing teams, Hengkang’s operations span major pharmaceutical markets such as China, Europe, the CIS region, Japan, and South Korea. Hengkang has established long-term and stable relationships with nearly 70 countries overseas and hundreds of domestic enterprises.