Text Search
Structure Search

betaxolol hydrochloride

betaxolol hydrochloride

CAS: 63659-19-8

Formula: C18H30ClNO3

SMILES: Cl[H].CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1

IUPAC: 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol hydrochloride

InChI: InChI=1/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H

Composition: C (62.87%), H (8.79%), Cl (10.31%), N (4.07%), O (13.96%)

Molar Mass: 343.89

Atom Count: 53

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 343.1914215
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CHDPSNLJFOQTRK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.64
Topological Polar Surface Area 50.72
Polarizability 35.13
Ring Count 2
Rotatable Bond Count 11

Suppliers

No suppliers are currently stocking this item.