CAS 160970-54-7|1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide|Silodosin|silodosin|KAD-3213, KMD-3213|(R)-1-(3-Hydroxypro...

General Information

Structure

Molecular Formula

C₂₅H₃₂F₃N₃O₄

Molecular Mass

495.5344896

Exact Mass

495.23449118

Charge

InChI

InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1

InChIKey

PNCPYILNMDWPEY-QGZVFWFLSA-N

Canonic Smiles

OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N

Isomeric Smiles

FC(F)(F)COc1ccccc1OCCN[C@H](C)Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO

Calculated Properties

JChem

Acid pKa

14.865219

H Acceptors

H Donor

LogD (pH = 5.5)

-0.1458398

LogD (pH = 7.4)

0.82869637

Log P

3.0467358

Molar Refractivity

128.9196

Polarizability

47.85751

Polar Surface Area

97.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide

Synonyms

SilodosinKAD-3213, KMD-3213(R)-1-(3-Hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]indoline-7-carboxamideKMD 3213UriefSilodosinKAD 32132,3-Dihydro-1-(3-hydroxypropyl)-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carboxamide

IUPAC Traditional name

silodosin

Names and Identifiers

Registration numbers

CHEMBL

IUPHAR ligand ID

ATC CODE

PubChem CID