esmolol hydrochloride

esmolol hydrochloride

CAS: 81161-17-3

Formula: C16H26ClNO4

SMILES: Cl[H].COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1

IUPAC: methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate hydrochloride

InChI: InChI=1/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H

Composition: C (57.91%), H (7.90%), Cl (10.68%), N (4.22%), O (19.29%)

Molar Mass: 331.84

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	331.155036
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GEKNCWBANDDJJL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.05
Topological Polar Surface Area	67.79
Polarizability	32.33
Ring Count	1
Rotatable Bond Count	10

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.34%	<7 Days	81161-17-3		$35.53-$112.20$35.53$56.10$84.15$112.20