Toremifene

C₂₆H₂₈ClNOCAS 89778-26-7405.97 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₂₆H₂₈ClNO
Molar mass: 405.97 g/mol
Exact mass: 405.1859 Da
Melting point: 108–110 °C
logP: 6.21Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

89778-26-7

SMILES

CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1

InChIKey

XFCLJVABOIYOMF-QPLCGJKRSA-N

InChI

InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-

Weigh it out

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

Names and synonyms

5 names

Ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
Ethanamine, 2-[4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-
Ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-
2-[4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine
Chlortamoxifen

Work with Toremifene

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

Tamoxifen10540-29-171 % similar Toremifene citrate89778-27-869 % similar Ospemifene128607-22-767 % similar 4-Hydroxytamoxifen68047-06-363 % similar 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-863 % similar Droloxifene82413-20-558 % similar Tamoxifen citrate54965-24-151 % similar Droloxifene citrate97752-20-044 % similar

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

Same formula

Enclomiphene15690-57-0 Clomiphene911-45-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook