Fluocortolone

HCID 9053CAS 152-97-6
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
InChIKey
GAKMQHDJQHZUTJ-ULHLPKEOSA-N
Molecular formula
C22H29FO4
Average molar mass
376.5 g/mol
Monoisotopic mass
376.20498763

Overview

Fluocortolone is a 21-hydroxy steroid.

Names & identifiers

Preferred name
Fluocortolone
IUPAC
(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
English name
Fluocortolone
Molecular formula
C22H29FO4
Molecular weight
376.46

Names & synonyms

FLUOCORTOLONE152-97-6FlucortoloneFluocortolonaSH 742Fluocortolonum65VXC1MH0JSH-742Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)-DTXSID00861835UltraproctUltradil
Show more names
FLUORCORTOLONEFluocortolonFluorocortoloneFluocortolone USP/EP/BPFluocortolone Impurity 13methylfluorodehydrocorticosterone
Ficoid 2-plusFicoid 2Caproate, FluocortolonePivalate, FluocortoloneRefChem:599356C05AA08D07AC05D07XC05

Database identifiers

CAS
152-97-6
PubChem CID
9053
DTXSID
DTXSID00861835
ChEMBL
CHEMBL251634
ChEBI
CHEBI:135581
UNII
65VXC1MH0J
EC Number
205-811-5
Nikkaji
J5.871H

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

Experimental & physicochemical properties

PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
Drugs · 3 items

Pharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Steroids

Human Drugs · 2 items

Breast Feeding; Lactation; Milk, Human; Corticosteroids, Systemic; Glucocorticoids; Anti-Inflammatory Agents

Pharmaceuticals

Melting Point180-182

Physicochemical properties

Melting point
113 · 113-116°C
alpha
20 · D20 +100° (dioxane)
Boiling point
537.4 · 537.4±50.0 °C(Predicted)
Density
1.1001 · 1.1001 (estimate)
vapor pressure
0.001 Pa · 0.001Pa at 25℃
storage temp.
Refrigerator

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P316, P318, P319, P321, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 14-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19646
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Toxicology

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Safety data

Signal word
Danger
Symbol(GHS)
GHS08,GHS06
Hazard statements
H360-H301-H372
REACH Registrations
Inactive
Precautionary statements
P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P270-P314-P501

Chemistry & industry

Pharmacology

ATC Code · 6 items

D - Dermatologicals

C - Cardiovascular system

H - Systemic hormonal preparations, excl. sex hormones and insulins

D - Dermatologicals

QD - Dermatologicals

QD - Dermatologicals

MeSH Pharmacological Classification · 2 items

Substances that reduce or suppress INFLAMMATION.

A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >10
Use ClassificationPharmaceuticals

Applications

UsesFluocortolone is a glucocorticoid used in the treatment of several conditions, including hemorrhoids. Fluocortolone is similar to Fluocortin, but with one less keto group.

Upstream & downstream products

Suppliers30 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]

Additional notes

DefinitionChEBI: Fluocortolone is a 21-hydroxy steroid.

Related reactions

2 records
New reaction record

Linked notes

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