CAS 391901-45-4 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 391901-45-4
1 2D Structure

CAS 391901-45-4

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 Weight 256.34 g/mol
Molecular Formula C16H20N2O
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass256.157563266 g/mol
Monoisotopic Mass256.157563266 g/mol
Topological Polar Surface Area58.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty