(-)-Caulophylline methyl iodide

11,11-dimethyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one iodide

CAS: 5853-05-4

Molecular Formula	`C13H19IN2O`
Molecular Weight	346.21 g/mol
Topological Polar Surface Area	20.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	346.0542
Heavy Atoms	17
Complexity	395.0

Chemical Identifiers

CAS Number	5853-05-4
SMILES	`C[N+]1(CC2CC(C1)C3=CC=CC(=O)N3C2)C.[I-]`
InChIKey	`VLKBCUWKDBHUFH-UHFFFAOYSA-M`

📖 Product Overview

(-)-Caulophylline methyl iodide (CAS: 5853-05-4) is a chemical compound with molecular formula C13H19IN2O and molecular weight 346.21 g/mol. Its IUPAC systematic name is 11,11-dimethyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one iodide. Topological Polar Surface Area 20.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 346.0542 Heavy Atoms 17 Complexity 395.0 InChI Key: VLKBCUWKDBHUFH-UHFFFAOYSA-M. SMILES: C[N+]1(CC2CC(C1)C3=CC=CC(=O)N3C2)C.[I-].

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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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