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RU 25055

CAT: 0931-T26147-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26147-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67983-56-6
Target
Others, Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
RU 25055 is a synthetic antiglucocorticoid.
Smiles
C[C@@]12[C@]([C@]3(C([C@H](C1)C4=CC=CS4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@]2(C#C)O)[H]
Molecular Formula
C24H26O2S
Molecular Weight
378.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RU 25055

glucocorticoid antagonist; RN given refers to (11beta,17alpha)-isomer

CAS Number67983-56-6
PubChem CID125680
IUPAC Name(8S,11S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-11-thiophen-2-yl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC24H26O2S
Molecular Weight378.5
XLogP2.9
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity798
SMILES
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)C5=CC=CS5
InChI
InChI=1S/C24H26O2S/c1-3-24(26)11-10-20-18-8-6-15-13-16(25)7-9-17(15)22(18)19(14-23(20,24)2)21-5-4-12-27-21/h1,4-5,12-13,18-20,26H,6-11,14H2,2H3/t18-,19+,20-,23-,24-/m0/s1
InChIKey
VXJUEZQVBUJYLC-MLNGRUJYSA-N
Chemical Structure
2D Structure
2D structure of RU 25055
CAS: 67983-56-6
CID: 125680
Formula: C24H26O2S
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass378.16535124
Monoisotopic Mass378.16535124
Topological Polar Surface Area65.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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