N-cyclohexylsulfamate1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one

N-cyclohexylsulfamate;1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one

CAS: 23901-27-1

Molecular Formula	`C29H38FN3O5S`
Molecular Weight	559.7 g/mol
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	559.25165
Heavy Atoms	39
Complexity	710.0

Chemical Identifiers

CAS Number	23901-27-1
SMILES	`COC1=CC2=C(C=C1)NC3=C2CC[NH+](CC3)CCCC(=O)C4=CC=C(C=C4)F.C1CCC(CC1)NS(=O)(=O)[O-]`
InChIKey	`JIBMPRDHZSYKNI-UHFFFAOYSA-N`

📖 Product Overview

N-cyclohexylsulfamate1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one (CAS: 23901-27-1) is a chemical compound with molecular formula C29H38FN3O5S and molecular weight 559.7 g/mol. Its IUPAC systematic name is N-cyclohexylsulfamate;1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one. Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 559.25165 Heavy Atoms 39 Complexity 710.0 InChI Key: JIBMPRDHZSYKNI-UHFFFAOYSA-N. SMILES: COC1=CC2=C(C=C1)NC3=C2CC[NH+](CC3)CCCC(=O)C4=CC=C(C=C4)F.C1CCC(CC1)NS(=O)(=O)[O-].

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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 N-cyclohexylsulfamate1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one.

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