5,6-Dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)indole hydrochloride

HCID 38510

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 40523-01-1
Standard SMILES: COc1cc2[nH]c(C)c(CC[NH+]3CCN(c4ccccc4)CC3)c2cc1OC.[Cl-]
InChIKey: USAPVNXIZYFWLO-UHFFFAOYSA-N
Molecular formula: C23H30ClN3O2
Average molar mass: 416 g/mol
Monoisotopic mass: 415.2026549

Overview

See also: Oxypertine hydrochloride (preferred).

Names & identifiers

Preferred name: 5,6-Dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)indole hydrochloride
IUPAC: 5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1H-indole chloride

Names & synonyms

Oxypertine HClEINECS 254-955-55,6-Dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)indole hydrochlorideIndole, 5,6-dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-, hydrochloride

Database identifiers

CAS: 40523-01-1
PubChem CID: 38510

Properties

Computed structural properties

Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 476

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…