1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride

CAS: 23901-25-9

Molecular Formula	`C23H26ClFN2O`
Molecular Weight	400.9 g/mol
Topological Polar Surface Area	26.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	400.17178
Heavy Atoms	28
Complexity	505.0

Chemical Identifiers

CAS Number	23901-25-9
SMILES	`CN1C2=C(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C41.[Cl-]`
InChIKey	`MGSXEOGSPHIRRK-UHFFFAOYSA-N`

📖 Product Overview

1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride (CAS: 23901-25-9) is a chemical compound with molecular formula C23H26ClFN2O and molecular weight 400.9 g/mol. Its IUPAC systematic name is 1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride. Topological Polar Surface Area 26.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 400.17178 Heavy Atoms 28 Complexity 505.0 InChI Key: MGSXEOGSPHIRRK-UHFFFAOYSA-N. SMILES: CN1C2=C(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C41.[Cl-].

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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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride.

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