1H-Indol-5-OL, 3-(2-(dimethylamino)ethyl)-, bioxalate

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Basic information

CAS: 2963-79-3
Standard SMILES: C[NH+](C)CCc1c[nH]c2ccc(O)cc12.O=C([O-])C(=O)O
InChIKey: DYESHNNFAFXIKV-UHFFFAOYSA-N
Molecular formula: C14H18N2O5
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.12157168

Overview

See also: Bufotenine monooxalate (preferred).

Names & identifiers

Preferred name: 1H-Indol-5-OL, 3-(2-(dimethylamino)ethyl)-, bioxalate
IUPAC: 2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate

Names & synonyms

4382-50-71H-INDOL-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)-, BIOXALATEMappine bioxalateBufotenine bioxalateN,N-Dimethylserotonin bioxalate5-Hydroxy-N-dimethyltryptamine bioxalate3-(2-Dimethylaminoethyl)-5-indolol bioxalate3-(beta-Dimethylaminoethyl)-5-hydroxyindole bioxalateN,N-Dimethyltryptamine oxalateDTXSID20195942EAA382502-(5-Hydroxy-1H-indol-3-yl)-N,N-dimethylethan-1-aminium hydrogen ethanedioate

Database identifiers

CAS: 2963-79-3、4382-50-7
PubChem CID: 20400
DTXSID: DTXSID20195942

Properties

Computed structural properties

Topological polar surface area: 118 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 286

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Compound notes

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