Promestriene

C₂₂H₃₂O₂CAS 39219-28-8328.50 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₂₂H₃₂O₂
Molar mass: 328.50 g/mol
Exact mass: 328.2402 Da
logP: 5.35Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4
Stereocentres: R, S, S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

39219-28-8

SMILES

CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12

InChIKey

IUWKNLFTJBHTSD-AANPDWTMSA-N

InChI

InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

3 names

Estra-1,3,5(10)-triene, 17-methoxy-3-propoxy-, (17β)-
(17β)-17-Methoxy-3-propoxyestra-1,3,5(10)-triene
3-Propoxy-17β-methoxyestra-1,3,5(10)-triene

Work with Promestriene

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

Dimenformon dipropionate113-38-259 % similar Estradiol enanthate4956-37-054 % similar Estradiol valerate979-32-854 % similar Estradiol 17-acetate1743-60-849 % similar Estradiol cypionate313-06-447 % similar Estradiol50-28-247 % similar Alpha-Estradiol57-91-047 % similar Estradiol benzoate50-50-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Retinyl acetate127-47-9 4,7,10,13,16,19-Docosahexaenoic acid2091-24-9 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-1 Docosahexaenoic acid25167-62-8 (2S)-2-((8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl)propanal3986-89-8 Docosahexaenoic acid6217-54-5

Elsewhere

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