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Megestrol acetate(CAS No. 595-33-5)

Megestrol acetate C24H32O4 (cas 595-33-5) Molecular Structure

595-33-5 Structure

Identification and Related Records

【Name】
Megestrol acetate
【Iupac name】
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,
14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
【CAS Registry number】
595-33-5
【Synonyms】
Megace ES
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-
Ovarid
Megace
Ovaban (Veterinary)
Megeron
6-Methyl-delta4,6-pregnadien-17alpha-ol-3,20-dione acetate
6-Methyl-6-dehydro-17.alpha.-acetoxyprogesterone
Megace (TN)
SC 10363
Megestryl acetate
Pregna-4,6-diene-3, 20-dione, 17-hydroxy-6-methyl-, acetate
Pallace
Ovaban
S4
6-Methyl-17-alpha-hydroxy-delta(sup 6)-progesterone acetate
SC-10363
SC10363
Niagestin
Progesterone, 6-dehydro-17-hydroxy-6-methyl-, acetate
6-Methyl-delta(sup 4,6)-pregnadien-17-alpha-ol-3,20-dione acetate
Megestrol acetate [USAN]
17alpha-Acetoxy-6-dehydro-6-methylprogesterone
Megestrol acetate (USAN)
Megestat
6-Dehydro-6-methyl-17.alpha.-acetoxyprogesterone
17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
Megestrol acetole [Progestins]
6-MethleneProgesterone Acetate
Pregna-4,6-diene-3, 20-dione, 17- (acetyloxy)-6-methyl-
BDH 1298
【EINECS(EC#)】
209-864-5
【Molecular Formula】
C24H32O4 (Products with the same molecular formula)
【Molecular Weight】
384.51
【Inchi】
InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
【Canonical SMILES】
CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
【Isomers smiles】
CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=
O)CC4)C
【MOL File】
595-33-5.mol

Chemical and Physical Properties

【Appearance】
Crystalline Solid
【Density】
1.15g/cm3
【Melting Point】
214℃
【Boiling Point】
507.1°Cat760mmHg
【Refractive Index】
11 ° (C=2, CHCl3)
【Flash Point】
218.5°C
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:384.50848 [g/mol]
Molecular Formula:C24H32O4
XLogP3-AA:3.1
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:14
Exact Mass:384.23006
MonoIsotopic Mass:384.23006
Topological Polar Surface Area:60.4
Heavy Atom Count:28
Formal Charge:0
Complexity:821
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:4
Effective Rotor Count:4.4
Conformer Sampling RMSD:0.8
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R40;R48
【Safety Statements 】
S22;S24/25
【Safety】
Hazard Codes:Xn
Risk Statements:40-48
40:Limited evidence of a carcinogenic effect
48:Danger of serious damage to health by prolonged exposure
Safety Statements:22-24/25
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
WGK Germany:3
【Specification】

Crystalline Solid
usageEng:Orally active progestogen; formerly used in combinations as oral contraceptive
Safety Statements:22-24/25
22:Do not breathe dust
24/25:Avoid contact with skin and eyes

Use and Manufacturing

【Usage】

Orally active progestogen; formerly used in combinations as oral contraceptive

Biomedical Effects and Toxicity

【Pharmacological Action】
- Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)
- Agents that are used to stimulate appetite. These drugs are frequently used to treat anorexia associated with cancer and AIDS.
【Therapeutic Uses】
Orally active progestogen; formerly used in combinations as oral contraceptive

Supplier Location

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Telephone:86-27-59721024
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Business Type:Manufacturer
Telephone:86-571-88938639
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Business Type:Trading Company
Telephone:86-312-18103315327
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Telephone:86-25-83697070
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Telephone:86-571-85829152
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Business Type:Manufacturer
Telephone:86-571-87396430

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