1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene
Grundinformationen
- CAS
110455-90-8- Standard-SMILES
Cc1ccc2cc3c(c4c2c1CC4)C1OC1c1ccccc1-3- InChIKey
LFYCWMXAEDCADG-UHFFFAOYSA-N- Summenformel
- C21H16O
- Durchschnittliche Molmasse
- 284,3 g/mol
- Monoisotopische Masse
- 284,12011513
Überblick
11,12-epoxy-3-methylcholanthrene is an organic heterohexacyclic compound that is 3-methylcholanthrene which has undergone epoxidation by the formal 1,2-addition of an oxygen atom to the double bond at the 11-12 position. It has a role as a mutagen. It is an epoxide and an organic heterohexacyclic compound. It is functionally related to a 3-methylcholanthrene.
Namen und Bezeichner
- Bevorzugter Name
- 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene
- IUPAC
- 17-methyl-4-oxahexacyclo[12.6.1.02,12.03,5.06,11.018,21]henicosa-1(21),2(12),6,8,10,13,15,17-octaene
Namen und Synonyme
Methylcholanthrene-11,12-epoxide3416-21-511,12-Dihydro-11,12-epoxy-3-methylcholanthrene11,12-Epoxy-11,12-dihydro-3-methylcholanthrene1a,10,11,11c-tetrahydro-9-methylbenz[7,8]aceanthryleno[9,10-b]oxirene1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxireneRefChem:90830511,12-Epoxy-3-methylcholanthreneCCRIS 11273-Methylcholanthrene-11,12-epoxide3-Methylcholanthrene 11,12-epoxide9-methyl-1a,10,11,11c-tetrahydrocyclopenta[7,8]tetrapheno[5,6-b]oxirene
Weitere Namen anzeigen
17-methyl-4-oxahexacyclo[12.6.1.02,12.03,5.06,11.018,21]henicosa-1(21),2(12),6,8,10,13,15,17-octaene3-Methylcholanthrene 11,12-oxideCholanthrene, 11,12-dihydro-11,12-epoxy-3-methyl-Cholanthrene, 11,12-epoxy-11,12-dihydro-3-methyl-SCHEMBL3345970DTXSID50276016CHEBI:142244Benz(7,8)aceanthryleno(9,10-b)oxirene, 1a,10,11,11c-tetrahydro-9-methyl-
Datenbank-Bezeichner
- CAS
110455-90-8、3416-21-5- PubChem CID
- 105086
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 12,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 473
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