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Fludrocortisone

CAT: 0804-HY-B1203-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1203-02Size:5 mg
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Description
Fludrocortisone inhibits natriuresis. Fludrocortisone is a synthetic mineralocorticoid with anti-inflammatory activity. Fludrocortisone can be studied in research for small cell lung cancer with profound hyponatremia and acute neurological symptoms as well as aneurysmal subarachnoid hemorrhage[1][2].
CAS Number
127-31-1
Product Name Alternative
9α-Fludrocortisone; 9α-Fluorcortisol
UNSPSC
12352211
Hazard Statement
H302, H312, H332, H361
Target
Mineralocorticoid Receptor; Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cancer
Assay Protocol
https://www.medchemexpress.com/Fludrocortisone.html
Purity
98.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@@]12[C@](C(CO)=O)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3(F)[C@@H](O)C2)=O
Molecular Formula
C21H29FO5
Molecular Weight
380.45
Precautions
H302, H312, H332, H361
References & Citations
[1]Jaal J, et al. Small Cell Lung Cancer Patient with Profound Hyponatremia and Acute Neurological Symptoms: An Effective Treatment with Fludrocortisone. Case Rep Oncol Med. 2015;2015:286029.|[2]Mori T, et al. Improved efficiency of hypervolemic therapy with inhibition of natriuresis by fludrocortisone in patients with aneurysmal subarachnoid hemorrhage. Journal of Neurosurgery [1999, 91 (6) :947-952]
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Fludrocortisone

Fludrocortisone is a mineralocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid, a fluorinated steroid and a C21-steroid. It has a role as an anti-inflammatory drug and an adrenergic agent. It derives from a hydride of a pregnane.

CAS Number127-31-1
PubChem CID31378
IUPAC Name(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H29FO5
Molecular Weight380.4
XLogP1.7
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity734
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F
InChI
InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey
AAXVEMMRQDVLJB-BULBTXNYSA-N
Chemical Structure
2D Structure
2D structure of Fludrocortisone
CAS: 127-31-1
CID: 31378
Formula: C21H29FO5
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass380.19990218
Monoisotopic Mass380.19990218
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity734
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