Cortison

KE · Cortison · Corlin · CORTONE · 17-HYDROXY-11-DEHYDROCORTICOSTERONE · 17A 21-DIHYDROXY-4-PREGNEN-3 17 20-TRIONE · (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione · (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dione

https://huagongshe.com/de/chemical/222786

Identifikatoren & physikalische Daten

CAS No.	53-06-5
Summenformel	C21H28O5
Durchschnittliche Molmasse	360,4 g/mol
Monoisotopische Masse	360,19367399 g/mol
SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChIKey	MFYSYFVPBJMHGN-ZPOLXVRWSA-N
PubChem CID	222786
ChEMBL	CHEMBL1499
ChEBI	CHEBI:16962
EC No.	200-162-4
DTXSID	DTXSID5022857
Lokaler Name	Cortison

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	91,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	26
Formalladung	0
Komplexität	724
LogP (Verteilungskoeffizient)	1.47
Löslichkeit	0.28 mg/mL at 25 °CChloroform (Slightly, Heated, Sonicated), DMSO (Slightly), Ethanol (Slightly, Heated)229.9mg/L(25 ºC)
Schmelzpunkt	222 °C223-228 °C (dec.)(lit.)
Physical Description	Solid
Collision Cross Section	257.2 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5022857]180.07 Å² [M-H2O-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]188.6 Å² [M+H]+ [CCS Type: DT172.48 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]186.07 Å² [M+K]+ [CCS Type: TW182.86 Å² [M+H]+ [CCS Type: TW184 Å² [M+H]+ [CCS Type: TW]184.4 Å² [M+H]+ [CCS Type: TW213.2 Å² [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]191.4 Å² [M-H]- [CCS Type: DT188.3 Å² [M+H]+ [CCS Type: DT
Siedepunkt	412.46°C (rough estimate)
Dichte	1.28±0.1 g/cm3 (20 ºC 760 Torr)
Brechungsindex	210 ° (C=1, EtOH)
Flammpunkt	9℃
Lagerbedingungen	-20°C Freezer
Aggregatzustand	Solid
pKa (Säurekonstante)	12.37±0.60(Predicted)
Farbe	White to Pale Beige
Merck	2539
Hauptanwendungen	clinical testingclinical testing
InChIKey	MFYSYFVPBJMHGN-ZPOLXVRWSA-N
SMILES	O[C@]1([C@@]2([C@H]([C@H]3[C@@H]([C@]4(CCC(=O)C=C4CC3)C)C(=O)C2)CC1)C)C(=O)CO
LogP (Verteilungskoeffizient)	1.470
CAS Datenbank	53-06-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH361 (98%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Cortisone: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-: Human health tier I assessmentIMAP assessments - Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-: Environment tier I assessment
Hazard Classes and Categories	Repr. 2 (98%)
Effects During Pregnancy and Lactation	◉ Summary of Use during LactationCortisone is a normal component of breastmilk that passes from the mother's bloodstream into milk and might have a role in intestinal maturation, the intestinal microbiome, growth, body composition or neurodevelopment, but adequate studies are lacking. Concentrations follow a diurnal rhythm, with the highest concentrations in the morning at about 7:00 am and the lowest concentrations in the late afternoon and evening. Cortisone has not been studied in breastmilk after exogenous administration in pharmacologic amounts. Although it is unlikely that dangerous amounts of cortisone would reach the infant, a better studied alternate drug might be preferred. Medium to large doses of corticosteroids given systemically or injected into joints or the breast have been reported to cause temporary reduction of lactation.◉ Effects in Breastfed InfantsNone reported with any corticosteroid.◉ Effects on Lactation and BreastmilkPublished information on the effects of cortisone on serum prolactin or on lactation in nursing mothers was not found as of the revision date. Medium to large doses of corticosteroids given systemically or injected into joints or the breast have been reported to cause temporary reduction of lactation.

Anwendungen & Verwendung

Verwenden

Cortisone is used for inflammatory processes, allergies, and adrenal insufficiency.