Name: Name:(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride
Brand: Angene
SKU: AG00DBME
Rating: 90 (10 reviews)

(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride

CAS No.:

521284-22-0

Catalog Number:

AG00DBME

Molecular Formula:

C16H21ClN2O

Molecular Weight:

292.8037

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Product Description

Catalog Number:

AG00DBME

Chemical Name:

(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride

CAS Number:

521284-22-0

Molecular Formula:

C16H21ClN2O

Molecular Weight:

292.8037

MDL Number:

MFCD28124345

IUPAC Name:

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

InChI:

InChI=1S/C16H20N2O.ClH/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;1H/t16-;/m0./s1

InChI Key:

QILVTBCJVNFIDP-NTISSMGPSA-N

SMILES:

Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O.Cl

EC Number:

700-425-8

Properties

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.807g/mol

Monoisotopic Mass:

292.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Absorption, metabolism and excretion of [(14)C]mirabegron (YM178), a potent and selective β(3)-adrenoceptor agonist, after oral administration to healthy male volunteers.	Drug metabolism and disposition: the biological fate of chemicals 20120401

Properties