chempirical

Bazedoxifene acetate

C32H38N2O5CAS 198481-33-3530.67 g/mol

Open in Covalent MOL file
OOHHONONOH
Carboxylic acidEtherPhenolTertiary amine

Properties

Molecular formula
C32H38N2O5
Molar mass
530.67 g/mol
Exact mass
530.2781 Da
logP
6.42Crippen estimate
Polar surface area
95.2 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
7

Identifiers

CAS number
198481-33-3
SMILES
CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIKey
OMZAMQFQZMUNTP-UHFFFAOYSA-N
InChI
InChI=1S/C30H34N2O3.C2H4O2/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;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)

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-, acetate (1:1)
  • 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, monoacetate (salt)
  • TSE 424
  • WAY-TES 424
  • Viviant

Work with Bazedoxifene acetate

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

Bazedoxifene198481-32-284 % similar Raloxifene hydrochloride82640-04-843 % similar Raloxifene84449-90-143 % similar 4-(2-Piperidinoethoxy)benzoic acid hydrochloride84449-80-938 % similar N-(2-(4-Chloromethylphenoxy)ethyl)hexahydro-1H-azepine hydrochloride223251-25-034 % similar Lasofoxifene tartrate190791-29-833 % similar Dyclonine536-43-632 % similar Dyclonine586-60-731 % similar

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

Elsewhere

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