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Tetrahydro Aldosterone

CAT: 0013-GTR19236471-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236471-01Size:50 mg
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Description
Tetrahydro Aldosterone is a synthetic steroid that acts as an adrenal angiotensin II receptor antagonist, exhibiting an IC50 of 10 μM. This inhibitor is utilized in research to study the renin-angiotensin-aldosterone system (RAAS) in both cellular and animal models of hypertension and adrenal function.
CAS Number
13489-75-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CO) (=O) [C@@H]1[C@]23[C@] ([C@]4 ([C@] ([C@] (C2) (OC3O) [H]) ([C@]5 (C) [C@] (CC4) (C[C@H] (O) CC5) [H]) [H]) [H]) (CC1) [H]
Molecular Formula
C21H32O5
Molecular Weight
364.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrahydroaldosterone

Tetrahydroaldosterone is a steroid lactone.

CAS Number13489-75-3
PubChem CID122135
IUPAC Name1-[(1R,2S,5S,6S,9R,11R,14S,15S,16S)-11,18-dihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]-2-hydroxyethanone
Molecular FormulaC21H32O5
Molecular Weight364.5
XLogP2.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity607
SMILES
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H]4C[C@]5([C@H]3CC[C@@H]5C(=O)CO)C(O4)O)O
InChI
InChI=1S/C21H32O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11-15,17-19,22-23,25H,2-10H2,1H3/t11-,12-,13+,14+,15-,17+,18-,19?,20+,21-/m1/s1
InChIKey
JDEYOKPHRJVBQO-FPXQBPFJSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydroaldosterone
CAS: 13489-75-3
CID: 122135
Formula: C21H32O5
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass364.22497412
Monoisotopic Mass364.22497412
Topological Polar Surface Area87 Ų
Heavy Atom Count26
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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