siramesine hydrochloride

siramesine hydrochloride

CAS: 224177-60-0

Formula: C30H32ClFN2O

SMILES: Cl.FC1=CC=C(C=C1)N1C=C(CCCCN2CCC3(CC2)OCC2=C3C=CC=C2)C2=CC=CC=C12

IUPAC: 1'-{4-[1-(4-fluorophenyl)-1H-indol-3-yl]butyl}-3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride

InChI: InChI=1S/C30H31FN2O.ClH/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30;/h1-4,8-15,21H,5-7,16-20,22H2;1H

Composition: C (73.38%), H (6.57%), Cl (7.22%), F (3.87%), N (5.70%), O (3.26%)

Molar Mass: 491.05

Atom Count: 67

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	490.2187195
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ILSRGIFRZZSGPN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.39
Topological Polar Surface Area	17.4
Polarizability	54.21
Ring Count	6
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	224177-60-0		$27.74-$253.46$27.74$40.35$60.53$90.79$253.46