Algestone Acetophenide
Basic information
- CAS
24356-94-3- Standard SMILES
CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
AHBKIEXBQNRDNL-FVCOMRFXSA-N- Molecular formula
- C29H36O4
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.26135963
Overview
Algestone acetophenide is a 16alpha,17alpha-dihydroxyprogesterone acetophenide. It has a role as an anti-inflammatory drug and a synthetic oral contraceptive.
Names & identifiers
- Preferred name
- Algestone Acetophenide
- IUPAC
- (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
- English name
- Algestone acetophenide
- Molecular formula
- C29H36O4
- Molecular weight
- 448.6
Names & synonyms
ALGESTONE ACETOPHENIDEDeladroxoneDroxone24356-94-3Alphasone acetophenideDihydroxyprogesterone acetophenideAlgeston acetofenidOL7KC2O3OTSQ-15101SQ 15,101NSC-759863SO-15101
Show more names
p-dhpbovitrolAcetophenideNeolutin DepositumBenzoic progesteronealphasoneacetophenide
DTXSID1022891CHEBI:49327Pregn-4-ene-3,20-dione, 16,17-((1-phenylethylidene)bis(oxy))-, (16alpha(R))-(1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one(1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo(10.8.0.02,9.04,8.013,18)icos-17-en-16-oneAcetophenide, AlgestoneAcetophenide, AlphasoneRefChem:110685
Database identifiers
- CAS
24356-94-3- PubChem CID
- 5284538
- DTXSID
DTXSID1022891- ChEMBL
CHEMBL3989742- ChEBI
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 901
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 150 · 150-151°
- alpha
- 23 · D23 +51° (CHCl3)
- Boiling point
- 477.29 °C · 477.29°C (rough estimate)
- Density
- 1.0455 · 1.0455 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 24356 · 24356-94-3(CAS DataBase Reference)
- FDA UNII
- 7 KC2O3OT · OL7KC2O3OT
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Pregn-4-ene-3,20-dione, 16,17-[(1-phenylethylidene)bis(oxy)]-, [16.alpha.(R)]-: Human health tier I assessment
Safety data
- hazard_code
- Xi
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
Oral contraceptives which owe their effectiveness to synthetic preparations.
Contraceptive agents that act on the ENDOCRINE SYSTEM.
Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY.
Applications
UsesProgestin.
UsesAlgestone Acetophenide is a progestational steroid that has been shown to increase the proteins in milk and serum in goats and decrease the weight gain of kids. Algestone Acetophenide is used as an injectable steroid contraceptive in Chile and Mexico.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Algestone acetophenide is a 16alpha,17alpha-dihydroxyprogesterone acetophenide. It has a role as an anti-inflammatory drug and a synthetic oral contraceptive.
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Compound notes
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