chempirical

Raloxifene hydrochloride

C28H28ClNO4SCAS 82640-04-8510.05 g/mol

Open in Covalent MOL file
HClOONOHSHO
EtherKetonePhenolTertiary amine

Properties

Molecular formula
C28H28ClNO4S
Molar mass
510.05 g/mol
Exact mass
509.1428 Da
Melting point
258 °C
logP
6.50Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7

Identifiers

CAS number
82640-04-8
SMILES
Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
InChIKey
BKXVVCILCIUCLG-UHFFFAOYSA-N
InChI
InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (1:1)
  • Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride
  • LY 156758
  • Evista
  • Keoxifene hydrochloride
  • Fiona
  • Bonebay
  • Reloxafine
  • Bontact
  • Ralofen
  • Ralista
  • 2-(4-Hydroxyphenyl)-3-[4-[2-(piperidin-1-yl)ethoxy]benzoyl]-1-benzothiophen-6-ol hydrochloride
  • Optruma

Work with Raloxifene hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Raloxifene84449-90-195 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-948 % similar Bazedoxifene198481-32-243 % similar Bazedoxifene acetate198481-33-343 % similar Dyclonine536-43-639 % similar N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride223251-25-038 % similar Lasofoxifene tartrate190791-29-834 % similar 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine1081-73-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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