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RU 752

CAT: 0931-T26157-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26157-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51390-69-3
Target
Others, Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
RU 752 is an antagonist of mineralocorticoid receptor that inhibits aldosterone synthesis.
Smiles
C[C@@]12[C@]3(CC[C@]1([C@]4([C@]([C@@H](O)C2)([C@]5(C)C(CC4)=CC(=O)CC5)[H])[H])[H])OC(=O)CC3
Molecular Formula
C22H30O4
Molecular Weight
358.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RU 752
CAS Number51390-69-3
PubChem CID71300431
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Molecular FormulaC22H30O4
Molecular Weight358.5
XLogP1.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity711
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O
InChI
InChI=1S/C22H30O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h11,15-17,19,24H,3-10,12H2,1-2H3/t15-,16-,17-,19+,20-,21-,22+/m0/s1
InChIKey
VKQZKUPABHSTTG-CHKNUKQCSA-N
Chemical Structure
2D Structure
2D structure of RU 752
CAS: 51390-69-3
CID: 71300431
Formula: C22H30O4
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass358.21440943
Monoisotopic Mass358.21440943
Topological Polar Surface Area63.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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