Tropisetron Hydrochloride

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Catalog Number
ACM105826924-1
Product Name
Tropisetron Hydrochloride
Structure
Structure
CAS
105826-92-4
Category
Indoles
Synonyms
1H-Indole-3-carboxylic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrochloride
Molecular Weight
320.8
Molecular Formula
C17H20N2O2·HCl
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
Boiling Point
448.5 °C at 760 mmHg
Melting Point
283-285 °C
Flash Point
225 °C
Complexity
400
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
320.1291556
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
2
Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
Monoisotopic Mass
320.1291556
Physical State
Solid
Rotatable Bond Count
3
Topological Polar Surface Area
45.3 Ų
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