N-(7-Hydroxy-6,7-dihydro-5H-pyrrolizin-1-ylmethyl)heliotrinium chloride

[(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

CAS: 24999-30-2

Molecular Formula	`C24H37ClN2O6`
Molecular Weight	485.0 g/mol
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	484.234
Heavy Atoms	33
Complexity	744.0

Chemical Identifiers

CAS Number	24999-30-2
SMILES	`CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)CC3=C4C(CCN4C=C3)O)O.[Cl-]`
InChIKey	`DOYURYFHQKITAN-MJSHISICSA-M`

📖 Product Overview

N-(7-Hydroxy-6,7-dihydro-5H-pyrrolizin-1-ylmethyl)heliotrinium chloride (CAS: 24999-30-2) is a chemical compound with molecular formula C24H37ClN2O6 and molecular weight 485.0 g/mol. Its IUPAC systematic name is [(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. Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 484.234 Heavy Atoms 33 Complexity 744.0 InChI Key: DOYURYFHQKITAN-MJSHISICSA-M. SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)CC3=C4C(CCN4C=C3)O)O.[Cl-].

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