Isomethergine

N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

CAS: 54808-91-2

Molecular Formula	`C20H25N3O2`
Molecular Weight	339.4 g/mol
LogP	2.3
Topological Polar Surface Area	68.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	339.19467
Heavy Atoms	25
Complexity	549.0

Chemical Identifiers

CAS Number	54808-91-2
SMILES	`CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C`
InChIKey	`UNBRKDKAWYKMIV-UHFFFAOYSA-N`

📖 Product Overview

Isomethergine (CAS: 54808-91-2) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.4 g/mol. Its IUPAC systematic name is N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. LogP 2.3 Topological Polar Surface Area 68.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 339.19467 Heavy Atoms 25 Complexity 549.0 InChI Key: UNBRKDKAWYKMIV-UHFFFAOYSA-N. SMILES: CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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