Acomonine hydrochloride

(2S,5S,6S,8S,10S,17R,18S)-11-ethyl-3,6,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol chloride

CAS: 58111-33-4

Molecular Formula	`C25H42ClNO7`
Molecular Weight	504.1 g/mol
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	503.26498
Heavy Atoms	34
Complexity	829.0

Chemical Identifiers

CAS Number	58111-33-4
SMILES	`CC[NH+]1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5(C6)OC)OC)O)O)OC)O)COC.[Cl-]`
InChIKey	`HPCUFELRLSMRHW-BGCUAWIOSA-N`

📖 Product Overview

Acomonine hydrochloride (CAS: 58111-33-4) is a chemical compound with molecular formula C25H42ClNO7 and molecular weight 504.1 g/mol. Its IUPAC systematic name is (2S,5S,6S,8S,10S,17R,18S)-11-ethyl-3,6,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol chloride. Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 503.26498 Heavy Atoms 34 Complexity 829.0 InChI Key: HPCUFELRLSMRHW-BGCUAWIOSA-N. SMILES: CC[NH+]1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5(C6)OC)OC)O)O)OC)O)COC.[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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