Androstenedione

C₁₉H₂₆O₂CAS 63-05-8286.42 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₆O₂
Molar mass: 286.42 g/mol
Exact mass: 286.1933 Da
Melting point: 158 °C
Water solubility: 57.3 mg/L (25 °C)
logP: 4.09Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: R, R, S, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed97.9% of notifiers
H351 Suspected of causing cancer95.8% of notifiers
H360 May damage fertility or the unborn child93.8% of notifiers
H362 May cause harm to breast-fed children95.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

63-05-8

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChIKey

AEMFNILZOJDQLW-QAGGRKNESA-N

InChI

InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

8 names

Androst-4-ene-3,17-dione
SKF 2170
3,17-Dioxoandrost-4-ene
17-Ketotestosterone
Fecundin
δ4-Androstene-3,17-dione
NSC 9563
4-Androstene-3,17-dione

Work with Androstenedione

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

19-Hydroxyandrostenedione510-64-573 % similar Adrenosterone382-45-670 % similar Androst-4-ene-3,6,17-trione2243-06-365 % similar 4-Dehydroepiandrosterone571-44-864 % similar Pregna-4,16-diene-3,20-dione1096-38-463 % similar Guggulsterone39025-23-563 % similar Guggulsterone95975-55-663 % similar 6-Methyleneandrost-4-ene-3,17-dione19457-55-762 % similar

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

Same formula

13-Ethylgon-4-ene-3,17-dione21800-83-9 (±)-13β-Ethylgon-4-ene-3,17-dione23477-67-0 Boldenone846-48-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook