Norethisterone acetate

C₂₂H₂₈O₃CAS 51-98-9340.46 g/mol

Open in Covalent MOL file

Alkene Alkyne Ester Ketone

Properties

Molecular formula: C₂₂H₂₈O₃
Molar mass: 340.46 g/mol
Exact mass: 340.2038 Da
Melting point: 161.5 °C
logP: 4.06Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1
Stereocentres: R, S, R, R, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed16.5% of notifiers
H312 Harmful in contact with skin15.7% of notifiers
H332 Harmful if inhaled15.7% of notifiers
H350 May cause cancer25.2% of notifiers
H351 Suspected of causing cancer73.9% of notifiers
H360 May damage fertility or the unborn child63.5% of notifiers
H362 May cause harm to breast-fed children22.6% of notifiers
H400 Very toxic to aquatic life21.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects21.7% of notifiers

Aggregated from 115 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

51-98-9

SMILES

C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

InChIKey

IMONTRJLAWHYGT-ZCPXKWAGSA-N

InChI

InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

34 names · show all

19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17α)-
19-Nor-17α-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate
(17α)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
17-Acetoxy-19-nor-17α-pregn-4-en-20-yn-3-one
17α-Ethinyl-19-nortestosterone acetate
17β-Hydroxy-19-nor-17α-pregn-4-en-20-yn-3-one acetate
Norethindrone acetate
Norethisteron acetate
Norethynyltestosterone acetate
Norethysterone acetate
Norlutate
Norlutin acetate
17α-Ethynyl-19-nortestosterone acetate
17α-Ethinyl-19-nortestosterone 17β-acetate
17α-Ethinyl-4-estrene-17β-ol-acetate-3-one
17β-Acetoxy-19-nor-17α-pregn-4-en-20-yn-3-one
19-Norethynyltestosterone acetate
Norethindrone 17-acetate
19-Norethisterone acetate
17β-Acetoxy-17α-ethinyl-4-estren-3-one
Norlutin A
Orlutate
Primolut-nor
SH 420
Norethisterone 17-acetate
Milli-anovlar
Progylut
Gynophase
Gynovlane
Miniphase
Aygestin
Milligynon
NSC 22844
Estalis

Work with Norethisterone acetate

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

Ethynodiol diacetate297-76-771 % similar Norethisterone enanthate3836-23-571 % similar Norethindrone68-22-468 % similar Gestonorone2137-18-058 % similar Norgestimate35189-28-758 % similar Nestorone7759-35-557 % similar Methylnortestosterone514-61-457 % similar Norethandrolone52-78-854 % similar

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

Same formula

Mg1491243583-85-8 Canrenone976-71-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook