gallopamil hydrochloride

gallopamil hydrochloride

CAS: 16662-46-7

Formula: C28H41ClN2O5

SMILES: Cl[H].COC1=CC(=CC(OC)=C1OC)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C

IUPAC: 5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride

InChI: InChI=1/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1-8H3;1H

Composition: C (64.54%), H (7.93%), Cl (6.80%), N (5.38%), O (15.35%)

Molar Mass: 521.1

Atom Count: 77

Heavy Atom Count: 36

Properties

Properties

Common Names	gallopamil hydrochloride
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	520.2704001
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	OKCRIUNHEQSXFD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	139.11
Topological Polar Surface Area	73.18
Polarizability	54.06
Ring Count	2
Rotatable Bond Count	14

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	16662-46-7		$39.27-$140.25$39.27$84.15$140.25