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Fludrocortisone

CAT: 0926-FF23321-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FF23321-01Size:10 mg
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CAS Number
127-31-1
MDL Number
MFCD00083333
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
Molecular Formula
C21H29FO5
Molecular Weight
380.45 g/mol
Controlled
No

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
TRC-F428100-10MGFludrocortisone
276251-01Fludrocortisone acetate

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