Tropisetron hydrochloride

Tropisetron hydrochloride

Inquiry
Catalog Number ACM105826924-3
CAS Number 105826-92-4
Structure
Synonyms (1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride;(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride;(3 alpha-tropanyl)-1H-indole-3-carboxylic acid ester;(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl ;1H-Indole-3-carboxylate Hydrochloride(;3-endo,8-syn)-3-[(1H-indol-3-ylcarbonyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane chloride;105826-92-4;105826-92-4 (HCl);1H-Indole-3-carboxylic Acid (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl Ester Hydrochloride1H-Indole-3-carboxylic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
IUPAC Name [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride.
Molecular Weight 320.8138g/mol
Molecular Formula C17H21ClN2O2
InChI InChI=1S/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H/t11-,12+,13?;
InChI Key XIEGSJAEZIGKSA-KOQCZNHOSA-N
Melting Point 283-285°C
Purity 0.98
Appearance Solid
Complexity 400
Covalently-Bonded Unit Count 2.
Defined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Exact Mass 320.129g/mol
Formal Charge 0.
Hazard Class 6.1
Hazard Excepted Quantities E1 (Inner packaging: 30, Outer packaging: 1000)
Hazard Limited Quantities 5kg
Hazard Statements H302: Harmful if swallowed.P280: Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
Heavy Atom Count 22
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
Isotope Atom Count 0
MDL Number MFCD02313825
Monoisotopic Mass 320.129g/mol
Packing Group III
Rotatable Bond Count 3
Topological Polar Surface Area 45.3A^2.
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
UN Number 2811

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