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Promegestone

CAT: 1596-AR-P32759-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P32759-06Size:250 Units
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CAS Number
34184-77-5
Synonyms
(8S,13S,14S,17S) -13,17-dimethyl-17-propionyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H30O2
Molecular Weight
326.48
API Name
Promegestone

Chemical Information

Promegestone

Promegestone is a progestin consisting of 17beta-propionylestra-4,9-dien-3-one substituted at position 17 by a methyl group. It has a role as an antineoplastic agent, a progestin and a progesterone receptor agonist. It is a 20-oxo steroid and a 3-oxo-Delta(4) steroid. It derives from a hydride of an estrane.

CAS Number34184-77-5
PubChem CID36709
IUPAC Name(8S,13S,14S,17S)-13,17-dimethyl-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H30O2
Molecular Weight326.5
XLogP3.3
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity667
SMILES
CCC(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C
InChI
InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1
InChIKey
QFFCYTLOTYIJMR-XMGTWHOFSA-N
Chemical Structure
2D Structure
2D structure of Promegestone
CAS: 34184-77-5
CID: 36709
Formula: C22H30O2
MW: 326.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass326.224580195
Monoisotopic Mass326.224580195
Topological Polar Surface Area34.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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