CAS 94666-07-6 5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide (HCID 121829)

Substructure search Find similar structures

Basic information

CAS: 94666-07-6
Standard SMILES: CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIKey: DRHKJLXJIQTDTD-UHFFFAOYSA-N
Molecular formula: C20H28N2O5S
Average molar mass: 408.5 g/mol
Monoisotopic mass: 408.17189317

Names & identifiers

Preferred name: 5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide
IUPAC: 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
English name: (+-)-Tamsulosin
Molecular formula: C20H28N2O5S
Molecular weight: 408.51

Names & synonyms

94666-07-6CHEBI:1425465-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamideRefChem:529183926-076-3Racemic Tamsulosin(+-)-TamsulosinBenzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-Amsulosin5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

Show more names

Zavegepant Impurity 11Tamsulosin Impurity 12 Monomer(Tamsulosin Monomer Racemate)Benzenesulfonamide, 5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy-5-[2-[2-(2-ethoxyphenoxy)-ethylamino]-2-methylethyl]-2-methoxybenzenesulfonamideBenzenesulfonamide, 5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy- (9CI)

YM 12617YM-12617Harnal-D5-[2-[2-(2-Ethoxyphenoxy)ethylamino]propyl]]-2-methoxybenzenesulfonamidebenzenesulfonamide, 5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy-, hydrochlorideTamsolusinSpectrum4_000788SCHEMBL53998

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 539

Physicochemical properties

Boiling point: 595.5 · 595.5±60.0 °C(Predicted)
Density: 1.191 · 1.191±0.06 g/cm3(Predicted)
pka: 10.08 · 10.08±0.60(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26184

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26184

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS.

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.

Suppliers3 total

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

湖北扬信医药科技有限公司15374522761 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide is a secondary amino compound that is ammonia in which nitrogen is substituted by a 1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl group and a 2-(2-ethoxyphenoxy)ethyl group. It is a secondary amino compound, a sulfonamide and an aromatic ether.