6alpha-Ethyl-5beta-cholane-3alpha,7alpha,24-triol

HCID 178593772

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 1537866-49-1
Standard-SMILES: CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCO)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12
InChIKey: DQBAHTQWQZRMFH-JDCMAIOWSA-N
Summenformel: C26H46O3
Durchschnittliche Molmasse: 406,6 g/mol
Monoisotopische Masse: 406,34469533

Namen und Bezeichner

Bevorzugter Name: 6alpha-Ethyl-5beta-cholane-3alpha,7alpha,24-triol
IUPAC: (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Englischer Name: Obeticholic Acid Impurity 13
Summenformel: C26H46O3
Molmasse: 406.64

Namen und Synonyme

1537866-49-16alpha-Ethyl-5beta-cholane-3alpha,7alpha,24-triol(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol(3|A,5|A,6|A,7|A)-6-Ethylcholane-3,7,24-triol(3?,5?,6?,7?)-6-Ethylcholane-3,7,24-triolCHEMBL3342081SCHEMBL17773421(3alpha,5beta,6alpha,7alpha)-6-Ethylcholane-3,7,24-triol(3R,5s,6r,7r,10s,13r)-6-ethyl-17-((r)-5-hydroxypentan-2-yl)-10,13-dimethyl-hexadecahydro-1h-cyclopenta[a]phenanthrene-3,7-diolI82316(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-Ethyl-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diolObeticholic Impurity 13

Weitere Namen anzeigen

Obeticholic Impurity 10Obeticholic Acid Impurity 10(3α,5β,6α,7α)-6-ethylcholane-3,7,24-triol(3α,5β,6α,7α)-6-Ethylcholane-3,7,24-triolCholane-3,7,24-triol, 6-ethyl-, (3α,5β,6α,7α)-3 alpha 7, alpha -6 alpha-2-hydroxy ethyl cholaneObeticholic Acid Impurity 6/6α-ethyl-3α,7α-dihydroxy-5β-cholan-24-ol

Datenbank-Bezeichner

CAS: 1537866-49-1
PubChem CID: 101886305
ChEMBL: CHEMBL3342081
Nikkaji: J3.358.477F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,9
Polarare Oberfläche (TPSA): 60,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 29
Formalladung: 0
Komplexität: 578

Physikochemische Eigenschaften

Siedepunkt: 527.6 · 527.6±25.0 °C(Predicted)
Dichte: 1.047 · 1.047±0.06 g/cm3(Predicted)
pka: 14.82 · 14.82±0.70(Predicted)

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(3α,5β,6α,7α)-6-Ethylcholane-3,7,24-triol is an impurity of obeticholic acid(E899810). Obeticholic acid is a semi-synthetic acid analogue used as a drug in the treatment of primary biliary cholangitis, and under development for several other liver related diseases.

Anbieter37 Anbieter

济南百隆化学有限公司[email protected] · [email protected]

上海科骊科生物技术有限公司021-34975789 18721102763 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

山东大有药物研发有限公司[email protected] 15165037910 · [email protected]

Zugehörige Reaktionen

Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…