AG003V99

105826-92-4 | (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride

AG003V99

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CAS Number	105826-92-4
Catalog Number	AG003V99(AGN-PC-0OV88X)
Chemical Name	(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride
IUPAC Name	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride
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
MDL Number	MFCD02313825
Molecular Formula	C17H21ClN2O2
Molecular Weight	320.8138
SMILES	O=C(C1=CNC2=C1C=CC=C2)O[C@@H]3C[C@@H](N4C)CC[C@@H]4C3.[H]Cl
UNII	A19338Q2YO
Synonyms	(3 alpha-tropanyl)-1H-indole-3-carboxylic acid ester, ICS 205 930, ICS 205-930, ICS 205930, ICS-205-930, ICS-205930, Indole 3 carboxylic Acid Tropine Ester, indole-3-carboxylic acid tropine ester, Navoban, tropisetron, tropisetron hydrochloride, Tropisetron hydrochloride, TROPISETRON HCl, 105826-92-4, Tropisetron (Hydrochloride), Tropisetron monohydrochloride, UNII-A19338Q2YO, CHEBI:77570, A19338Q2YO, 3-Tropanylindole-3-carboxylate hydrochloride, Navoban (TN), (1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride, SDZ-ICS 930, [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride, AC1LCVDD, Tropisetron-hydrochloride, ICS 205-930, MLS001401385, ARONIS27016, SCHEMBL133873, SCHEMBL669358, CHEMBL2130744, Tropisetron hydrochloride (JAN), (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate hydrochloride, (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-Indole-3-carboxylate Hydrochloride, 1H-Indole-3-carboxylic Acid (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl Ester Hydrochloride, 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, monohydrochloride, endo-, HY-B0020, KS-000048IM, AKOS015955967, AC-4285, CCG-100989, CS-0753, KS-5177, NC00239, RD-0149, CPD000469156, SAM001246576, SMR000469156, TL8000219, D02041, W-5288, 826T924, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate hydrochloride, 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, tropisetron, Tropisetronum, Navoban, Tropisetron HCl*, Tropisetron [BAN:INN], Tropisetron [INN:BAN], Tropisetronum [INN-Latin], UNII-6I819NIK1W, C17-H20-N2-O2.Cl-H, CC-401, CID656664, MFCD00210221, C17-H20-N2-O2, ICS 205930, ICF 205-930, B1002, 105826-92-4 (HCl), 3-alpha-tropanyl-1H-indole-3-carboxylic acid ester, 89565-68-4, 1H-Indole-3-carboxylic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, Tropisetron monohydrochloride, 99%, a 5-HT3 receptor antagonist and alpha7-nicotinic receptor agonist - 1G 1g,

Complexity	400
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	320.129g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	320.817g/mol
Monoisotopic Mass	320.129g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number