chempirical

Endoxifen

C25H27NO2CAS 112093-28-4373.50 g/mol

Open in Covalent MOL file
OHONH
AlkeneEtherPhenolSecondary amine

Properties

Molecular formula
C25H27NO2
Molar mass
373.50 g/mol
Exact mass
373.2042 Da
Melting point
139–143 °C
logP
5.36Crippen estimate
Polar surface area
41.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8

Identifiers

CAS number
112093-28-4
SMILES
CC/C(=C(c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
InChIKey
MHJBZVSGOZTKRH-IZHYLOQSSA-N
InChI
InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-

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Names and synonyms

7 names
  • Phenol, 4-[(1Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
  • Phenol, 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-, (Z)-
  • Phenol, 4-[(1Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-
  • 4-[(1Z)-1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol
  • 4-Hydroxy-N-desmethyltamoxifen
  • N-Desmethyl-4-hydroxytamoxifen
  • (Z)-Endoxifen

Work with Endoxifen

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

4-Hydroxytamoxifen68047-06-369 % similar 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-869 % similar Droloxifene82413-20-558 % similar Tamoxifen10540-29-157 % similar Diethylstilbestrol56-53-145 % similar Droloxifene citrate97752-20-045 % similar Tamoxifen citrate54965-24-144 % similar Ospemifene128607-22-743 % similar

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

Elsewhere

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