Basic information
- CAS
92642-94-9- Standard SMILES
COc1cccc(OC)c1OCCNCC1CSc2ccccc2O1- InChIKey
QAUVAHYHKLRJCQ-UHFFFAOYSA-N- Molecular formula
- C19H23NO4S
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.13477939
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine
- IUPAC
- N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
- English name
- benoxathian
- Molecular formula
- C19H23NO4S
- Molecular weight
- 361.46
Names & synonyms
Benoxathian92642-94-92-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzoxathianRefChem:926633N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine1,4-benzoxathiin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-Benzoxathiin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-N-((2,3-Dihydrobenzo[b][1,4]oxathiin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamineBENZOXATHIANN-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamineLopac0_000225CHEMBL191044
Show more names
BDBM86232DTXSID10919033CAS_2325NSC_2325CCG-204320SDCCGSBI-0050213.P002NCGC00015120-02NCGC00015120-03
Database identifiers
- CAS
92642-94-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 374
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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