N(4)-Demethylechitamine
Grundinformationen
- CAS
60048-88-6- Standard-SMILES
C/C=C1/C[N@]2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC- InChIKey
VZZBVNLFHYEUHM-CEYJTUKCSA-N- Summenformel
- C21H26N2O4
- Durchschnittliche Molmasse
- 370,4 g/mol
Überblick
N(4)-demethylechitamine is a member of carbazoles. It has a role as a metabolite.
Namen und Bezeichner
- Bevorzugter Name
- N(4)-Demethylechitamine
- IUPAC
- methyl (1S,9R,10S,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
- Englischer Name
- N-Demethylechitamine
- Summenformel
- C21H26N2O4
- Molmasse
- 370.44
Namen und Synonyme
N(4)-demethylechitamine60048-88-6methyl (1S,9R,10S,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo(10.5.1.01,9.02,7.09,15)octadeca-2,4,6-triene-18-carboxylatemethyl (1S,9R,10S,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylateMethyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo(10.5.1.0,.0,.0,)octadeca-2,4,6-triene-18-carboxylic acidMethyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.0,.0,.0,]octadeca-2,4,6-triene-18-carboxylic acidRefChem:160694N-Demethylechitamineorb1682056CHEBI:70513TN4610AKOS040762084
Weitere Namen anzeigen
Nb-demethylechitamine13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylic acid, 4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-, methyl ester, (1S,3S,4E,6S,8aS,13aR,14R)-
Q27138845
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 82 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 696
Physikochemische Eigenschaften
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
Chemie und Industrie
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