Exemestane

C₂₀H₂₄O₂CAS 107868-30-4296.41 g/mol

Open in Covalent MOL file

Alkene Ketone

Properties

Molecular formula: C₂₀H₂₄O₂
Molar mass: 296.41 g/mol
Exact mass: 296.1776 Da
Melting point: 196–197.7 °C
Water solubility: practically insoluble
logP: 4.03Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: R, S, S, S, Rin SMILES atom order

Hazards

Danger

H319 Causes serious eye irritation54% of notifiers
H360 May damage fertility or the unborn child98.9% of notifiers
H411 Toxic to aquatic life with long lasting effects49.4% of notifiers

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P273, P280, P305+P351+P338, P318, P337+P317, P391, P405, P501

Identifiers

CAS number

107868-30-4

SMILES

C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12

InChIKey

BFYIZQONLCFLEV-DAELLWKTSA-N

InChI

InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

Weigh it out

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

Names and synonyms

5 names

Androsta-1,4-diene-3,17-dione, 6-methylene-
6-Methyleneandrosta-1,4-diene-3,17-dione
FCE 24304
Aromasin
Aromasil

Work with Exemestane

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

Androsta-1,4-diene-3,17-dione897-06-365 % similar 6-Methyleneandrost-4-ene-3,17-dione19457-55-763 % similar Androsta-1,4,6-triene-3,17-dione633-35-259 % similar Androst-4-ene-3,6,17-trione2243-06-348 % similar Androstenedione63-05-843 % similar Testolactone968-93-442 % similar Dehydroepiandrosterone53-43-041 % similar 4-Dehydroepiandrosterone571-44-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethinylestradiol57-63-6 4′-Heptylbiphenyl-4-carboxylic acid58573-94-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook