chempirical

Bazedoxifene

C30H34N2O3CAS 198481-32-2470.61 g/mol

Open in Covalent MOL file
HONONOH
EtherPhenolTertiary amine

Properties

Molecular formula
C30H34N2O3
Molar mass
470.61 g/mol
Exact mass
470.2569 Da
logP
6.33Crippen estimate
Polar surface area
57.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Identifiers

CAS number
198481-32-2
SMILES
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIKey
UCJGJABZCDBEDK-UHFFFAOYSA-N
InChI
InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-
  • 1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
  • WAY 140424
  • 1-[[4-[2-(Azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
  • Conbriza

Work with Bazedoxifene

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

Bazedoxifene acetate198481-33-384 % similar Raloxifene hydrochloride82640-04-843 % similar Raloxifene84449-90-143 % similar N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride223251-25-039 % similar 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine1081-73-836 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-935 % similar 4-(Heptyloxy)phenol13037-86-033 % similar 4-(Hexyloxy)phenol18979-55-033 % similar

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

Elsewhere

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