Basic information
- CAS
68535-69-3- Standard SMILES
COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC- InChIKey
IIWOUNLDWKZMQI-UHFFFAOYSA-N- Molecular formula
- C32H54N4O2S2
- Average molar mass
- 590.9 g/mol
- Monoisotopic mass
- 590.36881933
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Benextramine
- IUPAC
- N'-[(2-methoxyphenyl)methyl]-N-[2-[2-[6-[(2-methoxyphenyl)methylamino]hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
- English name
- Benextramine
- Molecular weight
- 0
Names & synonyms
BenextramineN,N'-Bmbac69790-18-7N,N'-Bis(o-methoxybenzylaminohexyl)cystamine2UGY4ETX3LDTXSID80220082N,N'-Bis-(O-methoxybenzylaminohexyl)-cystamineN,N''-(Dithiodi-2,1-ethanediyl)bis(N'-(2-methoxyphenylmethyl)-1,6-hexanediamine) tetrahydrochloride1,6-Hexanediamine, N,N''-(dithiodi-2,1-ethanediyl)bis(N'-((2-methoxyphenyl)methyl)-RefChem:116985DTXCID80142573CHEMBL19060
Show more names
N,N''-(Dithiodiethylene)bis[N'-(o-methoxybenzyl)-1,6-hexanediamine]N,N'-Bis[6-[(2-methoxybenzyl)amino]hexyl][2,2'-dithiobis(ethanamine)]N,N''-(Dithiodi-2,1-ethanediyl)bis[N'-[(2-methoxyphenyl)methyl]-1,6-hexanediamine]N,N''-[Dithiobis(2,1-ethanediyl)]bis[N'-[(2-methoxyphenyl)methyl]-1,6-hexanediamine]
N'-[(2-methoxyphenyl)methyl]-N-[2-[2-[6-[(2-methoxyphenyl)methylamino]hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine68535-69-3NSC364369UNII-2UGY4ETX3LSCHEMBL467278BDBM50020168NS00063330N1,N1'-(DITHIODI-2,1-ETHANEDIYL)BIS(N6-((2-METHOXYPHENYL)METHYL)-1,6-HEXANEDIAMINE
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 27
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- FDA UNII
- 2 UGY4ETX3L · 2UGY4ETX3L
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.
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…