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Pentomone

CAT: 0013-GTR19239794-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239794-01Size:25 mg
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Description
Pentomone (LY-113935) is a small molecule anti-androgen agent that inhibits prostate growth. It is utilized in research for studying androgen receptor pathways in prostate cancer, with applications in both in vitro cellular assays and in vivo animal models.
CAS Number
67102-87-8
Field of Research
Metabolism Research
Smiles
O=C1C2CC=3C=CC=C (OC) C3OC2C (C) (C) C4OC=5C (OC) =CC=CC5CC14
Molecular Formula
C24H26O5
Molecular Weight
394.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pentomone

Pentomone is a small molecule drug. Pentomone has a monoisotopic molecular weight of 394.18 Da.

CAS Number67102-87-8
PubChem CID49354
IUPAC Name(5aS,6aR,12aS,13aR)-4,8-dimethoxy-6,6-dimethyl-5a,6a,12,12a,13a,14-hexahydrochromeno[3,2-b]xanthen-13-one
Molecular FormulaC24H26O5
Molecular Weight394.5
XLogP4.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity583
SMILES
CC1([C@@H]2[C@@H](CC3=C(O2)C(=CC=C3)OC)C(=O)[C@@H]4[C@H]1OC5=C(C4)C=CC=C5OC)C
InChI
InChI=1S/C24H26O5/c1-24(2)22-15(11-13-7-5-9-17(26-3)20(13)28-22)19(25)16-12-14-8-6-10-18(27-4)21(14)29-23(16)24/h5-10,15-16,22-23H,11-12H2,1-4H3/t15-,16+,22-,23+
InChIKey
MTJTVTZUEKVNTG-YJEDKTMASA-N
Chemical Structure
2D Structure
2D structure of Pentomone
CAS: 67102-87-8
CID: 49354
Formula: C24H26O5
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass394.17802393
Monoisotopic Mass394.17802393
Topological Polar Surface Area54 Ų
Heavy Atom Count29
Formal Charge0
Complexity583
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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