1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone
Grundinformationen
- CAS
14760-51-1- Standard-SMILES
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
PGCWTDKPSMHVRB-LQHZEQFVSA-N- Summenformel
- C28H33FN2O4
- Durchschnittliche Molmasse
- 480,6 g/mol
- Monoisotopische Masse
- 480,2424357
Namen und Bezeichner
- Bevorzugter Name
- 1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone
- IUPAC
- 1-[(1S,2R,13S,14S,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone
Namen und Synonyme
CHEMBL2022858SCHEMBL2077617PGCWTDKPSMHVRB-LQHZEQFVSA-NDTXSID101124622BDBM5038172414760-51-1(11I(2))-2a(2)-(4-Fluorophenyl)-11,17-21-trihydroxy-2a(2)H-pregna-2,4-dieno[3,2-c]pyrazol-20-one1-[(1R,3aS,3bS,10aR,10bS,11S,12aS)-7-(4-Fluorophenyl)-1,11-dihydroxy-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethan-1-one1-[(1R,3aS,3bS,10aR,10bS,11S,12aS)-7-(4-fluorophenyl)-1,11-dihydroxy-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone
Datenbank-Bezeichner
- CAS
14760-51-1- PubChem CID
- 11733546
- DTXSID
DTXSID101124622- ChEMBL
CHEMBL2022858- Nikkaji
- J1.879.785B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 95,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 905
Zugehörige Reaktionen
2
Notizen zur Verbindung
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