Grundinformationen
- Standard-SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
PERPPAKFLWZECF-QYYVTAPASA-N- Summenformel
- C21H32O
- Durchschnittliche Molmasse
- 300,5 g/mol
- Monoisotopische Masse
- 300,24531564
Namen und Bezeichner
- Bevorzugter Name
- 5alpha-Pregn-2-en-20-one
- IUPAC
- 1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- Englischer Name
- 5-A-PREGN-2-EN-20-ONE
- Summenformel
- C21H32O
- Molmasse
- 300.48
Namen und Synonyme
5alpha-Pregn-2-en-20-one969-72-2NSC-604695-alpha-pregn-2-en-20-onePNW12261H1UNII-PNW12261H1Pregn-2-en-20-one, (5alpha)-5.ALPHA.-PREGN-2-EN-20-ONEPREGN-2-EN-20-ONE, (5.ALPHA.)-RefChem:103523Pregn-2-en-20-one, (5a)-Pregn-2-en-20-one
Weitere Namen anzeigen
5α-pregn-2-en-20-one5-A-PREGN-2-EN-20-ONEPregn-2-en-20-one, (5α)-
5a-pregn-2-en-20-one1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone5alpha-pregn-2-ene-20-one5alpha-pregnan-2-ene-20-oneSCHEMBL2475838CHEBI:79921DTXSID80914257PERPPAKFLWZECF-QYYVTAPASA-N
Datenbank-Bezeichner
- CAS
969-72-2- PubChem CID
- 246883
- DTXSID
DTXSID80914257- ChEBI
CHEBI:79921- UNII
- PNW12261H1
- EC Number
- 149-021-8
- Nikkaji
- J2.794.415I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 506
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemie und Industrie
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