Cyproterone acetate

C₂₄H₂₉ClO₄CAS 427-51-0416.94 g/mol

Open in Covalent MOL file

Alkene Ester Ketone Vinyl halide

Properties

Molecular formula: C₂₄H₂₉ClO₄
Molar mass: 416.94 g/mol
Exact mass: 416.1754 Da
Melting point: 200–201 °C
logP: 4.61Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2
Stereocentres: R, S, R, R, S, S, S, Sin SMILES atom order

Hazards

Danger

H312 Harmful in contact with skin64.3% of notifiers
H332 Harmful if inhaled64.3% of notifiers
H351 Suspected of causing cancer97.1% of notifiers
H360 May damage fertility or the unborn child32.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure27.1% of notifiers

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P271, P280, P302+P352, P304+P340, P317, P318, P319, P321, P362+P364, P405, P501

Identifiers

CAS number

427-51-0

SMILES

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C

InChIKey

UWFYSQMTEOIJJG-FDTZYFLXSA-N

InChI

InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

22 names · show all

3′H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1β,2β)-
3′H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 6-chloro-1β,2β-dihydro-17-hydroxy-, acetate
Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-1α,2α-methylene-, acetate
Cyclopropa[1,2]cyclopenta[a]phenanthrene, 3′H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione deriv.
(1β,2β)-17-(Acetyloxy)-6-chloro-1,2-dihydro-3′H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
SH 714
17α-Acetoxy-6-chloro-1α,2α-methylenepregna-4,6-diene-3,20-dione
6-Chloro-1,2α-methylene-6-dehydro-17α-hydroxyprogesterone acetate
6-Chloro-17-hydroxy-1α,2α-methylenepregna-4,6-diene-3,20-dione acetate
6-Chloro-1,2α-methylene-17α-hydroxy-δ6-progesterone acetate
1,2α-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17α-acetate
1,2α-Methylene-6-chloro-δ4,6-pregnadien-17α-ol-3,20-dione acetate
Cyproterone 17α-acetate
3′H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
Cyproterone 17-O-acetate
1,2α-Methylene-6-chloro-17α-acetoxy-4,6-pregnadiene-3,20-dione
Androcur
Cyproviron
Cyprostat
CPA
NSC 81430
Androcur depot

Work with Cyproterone 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

Cyproterone2098-66-073 % similar Chlormadinone acetate302-22-765 % similar Megestrol acetate595-33-556 % similar Nomegestrol acetate58652-20-349 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-043 % similar Progesterone acetate302-23-843 % similar Medroxyprogesterone acetate71-58-943 % similar Melengestrol acetate2919-66-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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