(4R,6R,8S,9S,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

HCID 45006151

Notes Reactions

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Basic information

CAS: 24356-94-3
Standard SMILES: CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
InChIKey: AHBKIEXBQNRDNL-LZAIWCNMSA-N
Molecular formula: C29H36O4
Average molar mass: 448.6 g/mol
Monoisotopic mass: 448.26135963

Names & identifiers

Preferred name: (4R,6R,8S,9S,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
IUPAC: (4R,6R,8S,9S,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

Algesterone acetophenide(4R,6R,8S,9S,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-oneorb1305383HMS3264G12Pharmakon1600-01505720MFCD00056835NSC759863AKOS037643276CCG-213531AS-12206PD160176SBI-0206921.P001

Show more names

droxoneDIHYDROXYPROGESTERONE ACETOPHENIDEp-dhpbovitrolSQ-15101deladroxoneAcetophenideNeolutin DepositumBenzoic progesteronealphasoneacetophenide

T25048AB01563116_01SR-05000001972SR-05000001972-1BRD-A09977907-001-01-9

Database identifiers

CAS: 24356-94-3
PubChem CID: 45006151

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 33
Formal charge: 0
Complexity: 901

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.

Safety data

hazard_code: Xi

Chemistry & industry

Applications · 2 items

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

Acetophenone

Suppliers100 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

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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