2-((4-Aminophenethyl)Amino)-1-Phenylethanol, (R)-

Chemistry, 2 End Use API, 42 Related Intermediates

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Also known as: 391901-45-4, Mirabegron (m16), Ym-208876, 2-((4-aminophenethyl)amino)-1-phenylethanol, (r)-, 16j30iow0v, (1r)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol

Molecular Formula

C₁₆H₂₀N₂O

Molecular Weight

256.34 g/mol

InChI Key

TUAHDMSPHZSMQN-INIZCTEOSA-N

FDA UNII

16J30IOW0V

1 2D Structure

2-((4-Aminophenethyl)Amino)-1-Phenylethanol, (R)-

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2/t16-/m0/s1

2.1.3 InChI Key

TUAHDMSPHZSMQN-INIZCTEOSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

16J30IOW0V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 391901-45-4

2. Mirabegron (m16)

3. Ym-208876

4. 2-((4-aminophenethyl)amino)-1-phenylethanol, (r)-

5. 16j30iow0v

6. (1r)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol

7. Unii-16j30iow0v

8. (r)-2-(4-aminophenethylamino)-1-phenylethanol

9. Schembl7118929

10. Chembl3550279

11. Benzenemethanol, A-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, (ar)-

12. Mfcd28125625

13. Zinc98181740

14. Akos024464547

15. Benzenemethanol, Alpha-(((2-(4-aminophenyl)ethyl)amino)methyl)-, (alphar)-

16. Ds-7233

17. Cs-0156602

18. (1r)-2-(4-aminophenethylamino)-1-phenylethanol

19. A873697

20. Q27251817

21. Benzenemethanol, .alpha.-(((2-(4-aminophenyl)ethyl)amino)methyl)-, (.alpha.r)-

2.4 Create Date

2011-06-20

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀N₂O
Molecular Weight	256.34 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	256.157563266 g/mol
Monoisotopic Mass	256.157563266 g/mol
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	233
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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Telangana Pharmatech

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(1R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol

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CAS Number

391901-45-4

End Use API

Telangana Pharmatech is a specialty pharmaceutical company engaged in the drug development, manufacture a...

Telangana Pharmatech is a specialty pharmaceutical company engaged in the drug development, manufacture and commercialization of pharmaceutical products. The company is floated by eminent professionals with vast experience in production, Research and Development, quality Assurance and marketing of API's and formulated medicines in India and abroad. Telangana Pharmatech Focuses On Development Of Novel Scaffolds And Design Of New Synthetic Routes For NCEs, Optimize Existing Route To Scale Up By Reducing Steps, Time And Cost. FTE Based Synthesis With Multiple-Chemist Multistage Synthesis.

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(1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol

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CAS Number

391901-45-4

End Use API

Mirabegron

About the Company

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.

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