methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylate
Grundinformationen
- CAS
82499-00-1- Standard-SMILES
CCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12- InChIKey
GADIKQPUNWAMEB-UHFFFAOYSA-N- Summenformel
- C17H18N2O4
- Durchschnittliche Molmasse
- 314,34 g/mol
- Monoisotopische Masse
- 314,12665706
Überblick
4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester is a member of beta-carbolines.
Namen und Bezeichner
- Bevorzugter Name
- methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylate
- IUPAC
- methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
- Englischer Name
- Methyl-6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
- Summenformel
- C17H18N2O4
- Molmasse
- 314.34
Namen und Synonyme
82499-00-1Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylatemethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate9H-Pyrido(3,4-b)indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester1309288N1JDTXSID90896999Methyl 4-ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylateRefChem:157710DTXCID401326437DMCMCHEMBL17468Methyl 6,7-dimethoxy-4-ethyl-|A-carboline-3-carboxylate
Weitere Namen anzeigen
DMCM hydrochlorideMETHYL 6 7-DIMETHOXY-4-ETHYL-BETA-Methyl 6,7-dimethoxy-4-ethyl-β-carboline-3-carboxylatemethyl4-ethyl-6,7-dimethoxy-9h-pyrido(3,4-b)indole-3-carboxylate4-b)indole-3-carboxylicacid,4-ethyl-6,7-dimethoxy-9h-pyrido(methylester4-ethyl-6,7-dimethoxy-9h-pyrido(3,4-b)indole-3-carboxylicacid,methylester6,7-Dimethoxy-4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
UNII-1309288N1JLopac-E-007METHYL-6,7-DIMETHOXY-4-ETHYL-BETA-CARBOLINE-3-CARBOXYLATEBiomol-NT_0002494-Ethyl-6,7-dimethoxy-9H-pyrido(3,4-b)indole-3-carboxylic acid, methyl esterLopac0_000543SCHEMBL472510BPBio1_001013
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 73,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 433
Physikochemische Eigenschaften
- Siedepunkt
- 454.02 °C · 454.02°C (rough estimate)
- Dichte
- 1.1489 · 1.1489 (rough estimate)
- Brechungsindex
- 1.5486 · 1.5486 (estimate)
- storage temp.
- Desiccate at RT
- pka
- 14.19 · 14.19±0.40(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, 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 CategoriesRepr. 2 (100%)
Sicherheitsdaten
- RTECS-Nr.
- UU9780280
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Anwendungen
VerwendenDMCM is a member of a family of non-benzodiazepine GABAA receptor agonists.
Anbieter14 Anbieter
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