19-Hydroxyandrostenedione

C₁₉H₂₆O₃CAS 510-64-5302.41 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₁₉H₂₆O₃
Molar mass: 302.41 g/mol
Exact mass: 302.1882 Da
Melting point: 172–173 °C
logP: 3.06Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: S, S, R, S, Sin SMILES atom order

Hazards

Danger

H351 Suspected of causing cancer15.2% of notifiers
H360 May damage fertility or the unborn child15.2% of notifiers
H361 Suspected of damaging fertility or the unborn child84.8% of notifiers
H362 May cause harm to breast-fed children15.2% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P280, P318, P405, P501

Identifiers

CAS number

510-64-5

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O

InChIKey

XGUHPTGEXRHMQQ-BGJMDTOESA-N

InChI

InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1

Weigh it out

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

Names and synonyms

5 names

Androst-4-ene-3,17-dione, 19-hydroxy-
19-Hydroxyandrost-4-ene-3,17-dione
Androst-4-ene-3,17-dione-19-ol
Androst-4-en-19-ol-3,17-dione
NSC 74233

Work with 19-Hydroxyandrostenedione

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

Androstenedione63-05-873 % similar 4-Dehydroepiandrosterone571-44-856 % similar Adrenosterone382-45-655 % similar Androst-4-ene-3,6,17-trione2243-06-354 % similar (+)-Estr-4-ene-3,17-dione734-32-753 % similar 6-Methyleneandrost-4-ene-3,17-dione19457-55-752 % similar Androsta-1,4-diene-3,17-dione897-06-352 % similar 11-Deoxycortisol152-58-952 % similar

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

Same formula

(+)-trans-Allethrin28434-00-6 (4-(Methoxymethyl)phenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate34388-29-9 2-Methoxyestradiol362-07-2 9Alpha-Hydroxyandrost-4-ene-3,17-dione560-62-3 7-Keto-dehydroepiandrosterone566-19-8 Formestane566-48-3 Allethrin584-79-2 Allethrin84030-86-4

Elsewhere

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