Eptastigmine
Grundinformationen
- CAS
101246-68-8- Standard-SMILES
CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C- InChIKey
RRGMXBQMCUKRLH-CTNGQTDRSA-N- Summenformel
- C21H33N3O2
- Durchschnittliche Molmasse
- 359,5 g/mol
- Monoisotopische Masse
- 359,2572773
Namen und Bezeichner
- Bevorzugter Name
- Eptastigmine
- IUPAC
- [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamate
- Englischer Name
- Eptastigmine
- Summenformel
- C21H33N3O2
- Molmasse
- 359.51
Namen und Synonyme
EptastigmineEptastigminaheptastigmineEptastigminumN-Demethyl-N-heptylphysostigmineHeptylphysostigmine101246-68-8Physostigmine heptyl6PZZ52D76QDTXSID801317905heptyl-physostigmineheptyl physostigmine
Weitere Namen anzeigen
L-693487Heptylcarbamic acid [(3aS,8aα)-1,2,3,3a,8,8a-hexahydro-1,3aα,8-trimethylpyrrolo[2,3-b]indol-5-yl] esterCarbamic acid, N-heptyl-, (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl ester
RefChem:921076DTXCID001747700pyrrolo(2,3-b)indol-5-ol-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl heptylcarbamate esterEptastigmine [INN](-)-HeptylphysostigmineEptastigminum [INN-Latin]Eptastigmina [INN-Spanish]UNII-6PZZ52D76Q
Datenbank-Bezeichner
- CAS
101246-68-8- PubChem CID
- 65872
- DTXSID
DTXSID801317905- ChEMBL
CHEMBL433041- UNII
- 6PZZ52D76Q
- Nikkaji
- J134.046H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 44,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 486
Physikochemische Eigenschaften
- Schmelzpunkt
- 60 · 60-64°
- Siedepunkt
- 491.72 °C · 491.72°C (rough estimate)
- Dichte
- 1.0895 · 1.0895 (rough estimate)
- Brechungsindex
- 1.63 · 1.6300 (estimate)
- pka
- 12.29 · 12.29±0.46(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
Anbieter3 Anbieter
LGM Pharma1-(800)-881-8210 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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