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trospium chloride

trospium chloride

CAS: 10405-02-4

Formula: C25H30ClNO3

SMILES: [Cl-].OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8??-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium chloride

InChI: InChI=1/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1

Composition: C (70.16%), H (7.07%), Cl (8.28%), N (3.27%), O (11.22%)

Molar Mass: 427.97

Atom Count: 60

Heavy Atom Count: 30

Properties
Properties
Common Names trospium chloride
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 427.1914215
Formal Charge 0
FSP3 0.48
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RVCSYOQWLPPAOA-UHFFFAOYNA-M
Lipinski's Rule of Five 1
Molar Refractivity 124.04
Topological Polar Surface Area 46.53
Polarizability 44.51
Ring Count 5
Rotatable Bond Count 5

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