Compound Selection

Formula: C11H17NO3

MW: 211.26

Salt: H2SO4, 2H2O

CAS: 6700-39-6

MDL NUMBER: MFCD00063025

IUPAC: 4-{1-hydroxy-2-[(methylethyl)amino]ethyl}benzene-1,2-diol

Smiles: c1c(c(cc(c1)C(CNC(C)C)O)O)O

DL-Isoproterenol sulfate dihydrate 97%

THERAPEUTIC CATEGORY: Bronchodilator

VET THERAP CATEGORY: Sympathomimetric. Chiefly as bronchodilator

REFERENCE: Merck 12, 5236

ACCEPTORS: 3

DONORS: 4

ROTATION BONDS: 7

N+O: 4

Chiral Centers: 1

LogP: 0.81

LogS: -2.88

LIPINSKI: 4

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MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management