2-Hydroxyestrone
Grundinformationen
- CAS
362-06-1- Standard-SMILES
C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CCC2=O- InChIKey
SWINWPBPEKHUOD-JPVZDGGYSA-N- Summenformel
- C18H22O3
- Durchschnittliche Molmasse
- 286,4 g/mol
- Monoisotopische Masse
- 286,15689456
Überblick
2-hydroxyestrone is a 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2. It has a role as a human metabolite. It is a member of catechols and a 2-hydroxy steroid. It is functionally related to an estrone.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hydroxyestrone
- IUPAC
- (8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- Englischer Name
- 2-Hydroxyestrone
- Summenformel
- C18H22O3
- Molmasse
- 286.37
Namen und Synonyme
2-HYDROXYESTRONE362-06-1Catecholestrone2,3-Dihydroxyestra-1,3,5(10)-trien-17-oneUQS3A06ILYDTXSID80904315(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one2-OHE1CHEBI:11562,3-dihydroxy-estra-1,3,5(10)-trien-17-oneEstra-1,3,5(1)-trien-17-one, 2,3-dihydroxy-(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-one
Weitere Namen anzeigen
Estrone Impurity2-Hydroxyesterone2-Hydroxyestrone solution2,3-Dihydroxy-1(10),2,4-est1,3,5(10)Estatrien-2,3-diol-17-one1,3,5[10]-ESTRATRIENE-2,3-DIOL-17-ONE2,3-DIHYDROXY-1,3,5[10]-ESTRATRIEN-17-ONE
RefChem:87529Estra-1,3,5(10-trien-17-one, 2,3-dihydroxy)-DTXCID7013334712-OHE(1)1,3,5(10)-Estratrien-2,3-diol-17-one2-Hydroxy EstroneEstrone Impurity 5UNII-UQS3A06ILY
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 448
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C18 steroids (estrogens) and derivatives [ST0201]
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 199 · 199-201°C
- Siedepunkt
- 481.3 · 481.3±45.0 °C(Predicted)
- Dichte
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 10.1 · 10.10±0.40(Predicted)
- Farbe
- Off-White to Light Brown
- Biologische Quelle
- synthetic
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
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesCarc. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN 1648 3 / PGII
- risk_code
- 40
- hazard_code
- Xn
- safety_code
- 22-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Carc. 2
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites2-hydroxyestrone has known human metabolites that include 2-Methoxyestrone, 3-O-methoxyestrone, and Estrone 2-O-glucuronide.
MeSH Pharmacological ClassificationAgents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.
Cellular LocationsExtracellular
Metabolite PathwaysEstrone Metabolism
Anbieter32 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…