Kimia Biosciences

CAS 223673-34-5

Chemistry, 5 End Use API, 44 Related Intermediates

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Also known as: 223673-34-5, (1r)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol, S5wn6rqz9b, (r)-2-((4-nitrophenethyl)amino)-1-phenylethan-1-ol, (alphar)-alpha-[[[2-(4-nitrophenyl)ethyl]amino]methyl]benzenemethanol, (r)-2-(4-nitrophenethylamino)-1-phenylethanol

Molecular Formula

C₁₆H₁₈N₂O₃

Molecular Weight

286.33 g/mol

InChI Key

GXTZAIGFWQRDSQ-INIZCTEOSA-N

FDA UNII

S5WN6RQZ9B

1 2D Structure

CAS 223673-34-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C16H18N2O3/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/t16-/m0/s1

2.1.3 InChI Key

GXTZAIGFWQRDSQ-INIZCTEOSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

S5WN6RQZ9B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 223673-34-5

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

3. S5wn6rqz9b

4. (r)-2-((4-nitrophenethyl)amino)-1-phenylethan-1-ol

5. (alphar)-alpha-[[[2-(4-nitrophenyl)ethyl]amino]methyl]benzenemethanol

6. (r)-2-(4-nitrophenethylamino)-1-phenylethanol

7. (1r)-2-((2-(4-nitrophenyl)ethyl)amino)-1-phenylethanol

8. (1r)-2-[[2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol

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

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

11. Unii-s5wn6rqz9b

12. Schembl6623043

13. Dtxsid00673056

14. Bcp17245

15. Mfcd26407509

16. Zinc35677774

17. Akos022173061

18. Ds-7158

19. Ac-26410

20. Cs-0156603

21. A50818

22. (1r)-2-(4-nitrophenethylamino)-1-phenylethanol

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

24. A910600

25. (1r)-2-((4-nitrophenethyl)amino)-1-phenylethan-1-ol

26. (1r)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethano

27. (r)-1-phenyl-2-[[2-(4-nitrophenyl)ethyl]amino]ethanol

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

29. 2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol, (r)-

2.4 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈N₂O₃
Molecular Weight	286.33 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	286.13174244 g/mol
Monoisotopic Mass	286.13174244 g/mol
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	21
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	1

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CAS Number

521284-19-5

End Use API

Mirabegron

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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