Heliotrinium, N-(7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-ylmethyl)-, chloride

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Basic information

CAS: 24999-30-2
Standard SMILES: COC(C)C(O)(C(=O)OCC1=CC[N+]2(Cc3ccn4c3C(O)CC4)CC[C@H](O)C12)C(C)C.[Cl-]
InChIKey: DOYURYFHQKITAN-MJSHISICSA-M
Molecular formula: C24H37ClN2O6
Average molar mass: 485 g/mol
Monoisotopic mass: 484.2340146

Names & identifiers

Preferred name: Heliotrinium, N-(7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-ylmethyl)-, chloride
IUPAC: [(7S)-7-hydroxy-4-[(7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl)methyl]-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate chloride

Names & synonyms

N-(7-Hydroxy-6,7-dihydro-5H-pyrrolizin-1-ylmethyl)heliotrinium chlorideHELIOTRINIUM, N-(7-HYDROXY-6,7-DIHYDRO-5H-PYRROLIZIN-1-YLMETHYL)-, CHLORIDE24999-30-2RefChem:347093DTXSID60947861(1S)-1-Hydroxy-4-[(1-hydroxy-2,3-dihydro-1H-pyrrolizin-7-yl)methyl]-7-({[2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-4-ium chloride1-Hydroxy-4-[(1-hydroxy-2,3-dihydro-1H-pyrrolizin-7-yl)methyl]-7-({[2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-4-ium chloride

Database identifiers

CAS: 24999-30-2
PubChem CID: 32762
DTXSID: DTXSID60947861

Properties

Computed structural properties

Topological polar surface area: 101 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 33
Formal charge: 0
Complexity: 744

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Compound notes

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