(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione

HCID 13519086
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2701-50-0
Standard SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
ARUYPSAYKHCXNE-UQNNAPNASA-N
Molecular formula
C24H30O4
Average molar mass
382.5 g/mol
Monoisotopic mass
382.21440944

Names & identifiers

Preferred name
(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
IUPAC
[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
English name
17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate
Molecular formula
C24H30O4
Molecular weight
382.5

Names & synonyms

2701-50-0(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dioneRefChem:20478517-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetateCyproterone Acetate EP Impurity A6-Deschloro Cyproterone Acetate17alpha-acetoxy-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dioneARUYPSAYKHCXNE-UQNNAPNASA-N3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-1,2-dihydro-, (1ss,2ss)-; 3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 1ss,2ss-dihydro-17-hydroxy-, acetate (8CI); Pregna-4,6-diene-3,20-dione, 17-hydroxy-1a,2a-methylene-, acetate (6CI,7689QR3QTC2SCHEMBL9168274
Show more names
3CCyproterone IntermediatesCPA acylateCyproterone int1Color Pronk acylateCyproterone Intermediates 117-acetoxy-1β,2β-methanopegna-4,6-diene-3,20-dione1α,2α-Methylene-3,20-dioxo-pregna-4,6-dien-17α-acetoxy
DTXSID201129275(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-3b,5a-Dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetateCyproterone acetate EP Impurity AMFCD01735918AKOS025285998CYPROTERONE ACETATE IMPURITY A [EP IMPURITY]17-Hydroxy-1alpha,2alpha-methylenepregna-4,6-diene-3,20-dione acetatePregna-4,6-diene-3,20-dione, 17-hydroxy-1|A,2|A-methylene-, acetate

Database identifiers

CAS
2701-50-0
PubChem CID
13519086
DTXSID
DTXSID201129275
UNII
689QR3QTC2
EC Number
427-820-5

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
60.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
28

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
280 · 280-281 ºC
Boiling point
518.4 · 518.4±50.0 °C(Predicted)
Density
1.21 · 1.21
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Solid

Safety & regulation

Hazard information

Regulatory InformationStatus: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34114

Safety data

REACH Registrations
Inactive

Chemistry & industry

Applications

Uses6-Deschloro Cyproterone Acetate (Cyproterone Acetate EP Impurity A) is an impurity of Cyproterone acetate (C989100).

Upstream & downstream products

Suppliers99 total

北京华美互利生物化工010-56205725 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

Loading…