Hirsutine structure

Hirsutine

methyl 2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Also Known As: Hirsutine

CAS: 7729-23-9
Molecular Formula C22H28N2O3
Molecular Weight 368.21 g/mol
LogP 3.4
Topological Polar Surface Area 54.6 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 368.21
Monoisotopic Mass 368.21
Heavy Atoms 27
Complexity 578.0

Chemical Identifiers

CAS Number 7729-23-9
SMILES CC[C@H]1CN2CCC3=C([C@H]2C[C@@H]1C(=COC)C(=O)OC)NC4=CC=CC=C34
InChIKey NMLUOJBSAYAYEM-GZRFBZBPSA-N

Product Overview

Hirsutine (CAS 7729-23-9), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: methyl 2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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