Fludrocortisone

C₂₁H₂₉FO₅CAS 127-31-1380.46 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ketone

Properties

Molecular formula: C₂₁H₂₉FO₅
Molar mass: 380.46 g/mol
Exact mass: 380.1999 Da
Melting point: 260–262 °C
Water solubility: 140 mg/L (25 °C)
logP: 1.87Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2
Stereocentres: S, S, S, R, S, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

127-31-1

SMILES

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

InChIKey

AAXVEMMRQDVLJB-BULBTXNYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

27 names · show all

Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11β)-
Pregn-4-ene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-
(11β)-9-Fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione
Alflorone
F-COL
Florinef
Fludrocortone
Fluohydrisone
Fluohydrocortisone
9α-Fluorocortisol
Fluorocortisone
9α-Fluoro-17-hydroxycorticosterone
9α-Fluoro-11β,17α,21-trihydroxy-4-pregnene-3,20-dione
9-Fluorocortisol
Fluorocortisol
9-Fluorohydrocortisone
9-Fluoro-11β,17,21-trihydroxypregn-4-ene-3,20-dione
F-Cortef
Astonin-H
Fludrone
Fludronef
9α-Fludrocortisone
Fluorohydrocortisone
9α-Fluorohydrocortisone
Fluodrocortisone
9α-Fluorcortisol
NSC 11318

Work with Fludrocortisone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(11Beta)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione337-03-178 % similar Fludrocortisone acetate514-36-376 % similar Fluoxymesterone76-43-771 % similar Fluorogestone acetate2529-45-563 % similar Halcinonide3093-35-456 % similar Cortisol50-23-756 % similar 11-Deoxycortisol152-58-954 % similar (6Alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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