Grundinformationen
- CAS
641-77-0- Standard-SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
LCZBQMKVFQNSJR-UJPCIWJBSA-N- Summenformel
- C21H30O4
- Durchschnittliche Molmasse
- 346,5 g/mol
- Monoisotopische Masse
- 346,21440943
Überblick
21-deoxycortisol is a deoxycortisol that is 17-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a mouse metabolite and a human blood serum metabolite. It is a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone, a deoxycortisol and an 11beta-hydroxy steroid.
Namen und Bezeichner
- Bevorzugter Name
- 21-Deoxycortisol
- IUPAC
- (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- Lokaler Name
- 11-β,17-α-Dihydroxypregn-4-en-3,20-dion
- Englischer Name
- 11beta,17alpha-Dihydroxy-4-pregnene-3,20-dione
- Summenformel
- C21H30O4
- Molmasse
- 346.46
Namen und Synonyme
21-Deoxycortisol641-77-021-DESOXYCORTISOLXZ1JYU14MZ11beta,17alpha-Dihydroxypregn-4-ene-3,20-dioneDTXSID10104450111beta,17alpha-Dihydroxyprogesterone11beta,17-dihydroxypregn-4-ene-3,20-dione4-Pregnene-11beta,17alpha-diol-3,20-dioneCHEBI:28697RefChem:48389811 beta,17 alpha-dihydroxypregn-4-ene-3,20-dione
Weitere Namen anzeigen
C05497DesoxycortisolAzlocillin Impurity 721-DeoxyhydrocortisoneHydrocortisone EP IMP L21-Dehydrohydrocortisone21-Deoxycortisol solutionHydrocortisone Impurity L
DTXCID501526652211-375-721-Deoxy Cortisol(8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneMLS000028688MLS00114845711-beta,17-alpha-Dihydroxypregn-4-ene-3,20-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 667
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-228 °C
- Siedepunkt
- 523.9 · 523.9±50.0 °C(Predicted)
- Dichte
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- Flammpunkt
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 12.86 · 12.86±0.70(Predicted)
- Farbe
- White to Pale Yellow
- Major Application
- clinical testingclinical testing
- InChI
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 11-β,17-α-dihydroxypregn-4-ene-3,20-dione (EC: 211-375-7)
Hazard Classes and CategoriesRepr. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
Chemie und Industrie
Anwendungen
VerwendenA metabolite of Fluticasone propionate (F599500).
Anbieter78 Anbieter
安礼特（上海）医药科技有限公司18109805911 · [email protected]
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艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
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梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
尚澜气体（上海）有限公司
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