15alpha-Hydroxytestosterone

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Grundinformationen

CAS: 2226-70-2
Standard-SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H](O)C[C@@H]2O
InChIKey: KYGUQDTWUBBBSD-MJVYMRHDSA-N
Summenformel: C19H28O3
Durchschnittliche Molmasse: 304,4 g/mol
Monoisotopische Masse: 304,20384475

Überblick

15alpha-hydroxytestosterone is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has a role as an androgen and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid, an androstanoid and a 15alpha-hydroxy steroid. It is functionally related to a testosterone.

Namen und Bezeichner

Bevorzugter Name: 15alpha-Hydroxytestosterone
IUPAC: (8R,9S,10R,13S,14S,15S,17S)-15,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Englischer Name: 15α-Hydroxytestosterone--DEA*schedule II I item
Summenformel: C19H28O3
Molmasse: 304.42

Namen und Synonyme

15-Hydroxytestosterone2226-70-215alpha-HydroxytestosteroneDTXSID4017679815alpha,17beta-Dihydroxyandrost-4-en-3-oneNSC-60794T193O3374BCHEBI:34161Androst-4-en-3-one, 15,17-dihydroxy-, (15alpha,17beta)-RefChem:78829DTXCID0099289636-577-6

Weitere Namen anzeigen

15α-Hydroxy Testosterone15a-Hydroxy Testosterone4-Androstene-15α,17β-diol-3-one4-ANDROSTEN-15α, 17β-DIOL-3-ONE15α-Hydroxytestosterone--DEA*schedule II I itemAndrost-4-en-3-one, 15,17-dihydroxy-, (15α,17β)-

(8R,9S,10R,13S,14S,15S,17S)-15,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one15.alpha.-HydroxytestosteroneNSC 6079415 alpha-hydroxytestosteroneUNII-T193O3374BAndrost-4-en-3-one, 15,17-dihydroxy-, (15.alpha.,17.beta.)-SCHEMBL1901199NSC60794

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 22
Formalladung: 0
Komplexität: 539

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 195 · 195-197°C
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White

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 · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, 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. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 20/21/22-40-63
hazard_code: Xn
safety_code: 22-36

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites15-Hydroxytestosterone is a known human metabolite of testosterone.

Anwendungen

VerwendenA metabolite of Testosterone (T155000).

Ergänzende Hinweise

DefinitionChEBI: An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin.

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