(+)-Estr-4-ene-3,17-dione

C₁₈H₂₄O₂CAS 734-32-7272.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₄O₂
Molar mass: 272.39 g/mol
Exact mass: 272.1776 Da
Melting point: 169–170.5 °C
logP: 3.70Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0
Stereocentres: S, S, R, R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin13.3% of notifiers
H351 Suspected of causing cancer40% of notifiers
H360 May damage fertility or the unborn child26.7% of notifiers
H360FD May damage fertility; May damage the unborn child33.3% of notifiers
H361 Suspected of damaging fertility or the unborn child46.7% of notifiers
H400 Very toxic to aquatic life40% of notifiers
H410 Very toxic to aquatic life with long lasting effects40% of notifiers
H411 Toxic to aquatic life with long lasting effects40% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

734-32-7

SMILES

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

InChIKey

JRIZOGLBRPZBLQ-QXUSFIETSA-N

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Estr-4-ene-3,17-dione
3,17-Dioxo-19-norandrost-4-ene
δ4-Estrene-3,17-dione
19-Norandrost-4-ene-3,17-dione
19-Norandrostenedione
(+)-19-Norandrost-4-en-3,17-dione
d-19-Norandrost-4-ene-3,17-dione
(+)-19-Norandrost-4-ene-3,17-dione
19-Nor-4-androstenedione
NSC 12164
Nordione

Work with (+)-Estr-4-ene-3,17-dione

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

13-Ethylgon-4-ene-3,17-dione21800-83-969 % similar (±)-13β-Ethylgon-4-ene-3,17-dione23477-67-069 % similar Androstenedione63-05-860 % similar Nandrolone434-22-057 % similar Methylnortestosterone514-61-456 % similar Androst-4-ene-3,6,17-trione2243-06-354 % similar 19-Hydroxyandrostenedione510-64-553 % similar Norethandrolone52-78-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Estr-5(10)-ene-3,17-dione3962-66-1 Estradiol50-28-2 Alpha-Estradiol57-91-0 9(10)-Dehydronandrolone6218-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook