Enclomiphene

C₂₆H₂₈ClNOCAS 15690-57-0405.97 g/mol

Open in Covalent MOL file

Alkene Ether Tertiary amine Vinyl halide

Properties

Molecular formula: C₂₆H₂₈ClNO
Molar mass: 405.97 g/mol
Exact mass: 405.1859 Da
Melting point: 73–75 °C
logP: 6.56Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

15690-57-0

SMILES

CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1

InChIKey

GKIRPKYJQBWNGO-OCEACIFDSA-N

InChI

InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+

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Names and synonyms

11 names

Ethanamine, 2-[4-[(1E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethyl-
Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-, (E)-
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, (E)-
2-[4-[(1E)-2-Chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
2-[p-(2-Chloro-trans-1,2-diphenylvinyl)phenoxy]triethylamine
ICI 46476
trans-Clomifene
trans-Clomiphene
(E)-Clomiphene
Enclomifene
Androxal

Work with Enclomiphene

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

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

Same formula

Toremifene89778-26-7 Clomiphene911-45-5

Elsewhere

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