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(2Beta)-Methyl Megestrol Acetate

CAT: 0572-TRC-M320245-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M320245-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1259198-59-8
Synonyms
(2β)-17-(Acetyloxy)-2,6-dimethylpregna-4,6-diene-3,20-dione; Megestrol Acetate EP Impurity G
Hazard Statement
Suspected of causing cancer.
Purity
>95% (HPLC)
Smiles
CC1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=CC1=O)C)CC[C@@]4(C(=O)C)OC(=O)C)C)C
Molecular Formula
C25H34O4
Molecular Weight
398.54
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Megestrol Acetate EP Impurity G
CAS Number1259198-59-8
PubChem CID71750428
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-2,6,10,13-tetramethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC25H34O4
Molecular Weight398.5
XLogP3.7
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity851
SMILES
CC1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=CC1=O)C)CC[C@@]4(C(=O)C)OC(=O)C)C)C
InChI
InChI=1S/C25H34O4/c1-14-11-18-19(23(5)13-15(2)22(28)12-21(14)23)7-9-24(6)20(18)8-10-25(24,16(3)26)29-17(4)27/h11-12,15,18-20H,7-10,13H2,1-6H3/t15?,18-,19+,20+,23-,24+,25+/m1/s1
InChIKey
AQMUMBCTNJGBGC-FGPIKTEISA-N
Chemical Structure
2D Structure
2D structure of Megestrol Acetate EP Impurity G
CAS: 1259198-59-8
CID: 71750428
Formula: C25H34O4
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass398.24570956
Monoisotopic Mass398.24570956
Topological Polar Surface Area60.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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