Argentine

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Basic information

CAS: 37551-61-4
Standard SMILES: O=C(N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2
InChIKey: AILDTIZEPVHXBF-XSLAGTTESA-N
Molecular formula: C23H26N4O3
Average molar mass: 406.5 g/mol
Monoisotopic mass: 406.2004907

Overview

Argentine is an alkaloid.

Names & identifiers

Preferred name: Argentine
IUPAC: (1S,9R)-11-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Names & synonyms

Argentine37551-61-4(1S,9R)-11-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 3,3'-carbonylbis(1,2,3,4,5,6-hexahydro-, (1R-(1alpha,3(1'R*,5'S*),5alpha))-C10753CHEBI:2819DTXSID90190984Q27105833(1S,1'S,5R,5'R)-3,3'-Carbonyldi(1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one)

Database identifiers

CAS: 37551-61-4
PubChem CID: 442941
DTXSID: DTXSID90190984
ChEBI: CHEBI:2819

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 64.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 30
Formal charge: 0
Complexity: 874

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Compound notes

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