3-(2-Morpholinoethoxy)-1-(3,4,5-trimethoxyphenylacetyl) pyrrolidine Hemihydrate

HCID 70605083
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Basic information

Standard SMILES
COc1cc(CC(=O)N2CCC(OCCN3CCOCC3)C2)cc(OC)c1OC.COc1cc(CC(=O)N2CCC(OCCN3CCOCC3)C2)cc(OC)c1OC.O
InChIKey
AOGYCHZVLUIWBI-UHFFFAOYSA-N
Molecular formula
C42H66N4O13
Average molar mass
835 g/mol
Monoisotopic mass
834.46263817

Names & identifiers

Preferred name
3-(2-Morpholinoethoxy)-1-(3,4,5-trimethoxyphenylacetyl) pyrrolidine Hemihydrate
IUPAC
bis(1-[3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone);hydrate

Names & synonyms

SCHEMBL11532923AOGYCHZVLUIWBI-UHFFFAOYSA-N3-(2-Morpholinoethoxy)-1-(3,4,5-trimethoxyphenylacetyl) pyrrolidine Hemihydrate3-(2-Morpholinoethoxy)-1-(3,4,5-trimethoxyphenylacetyl)pyrrolidine Hemihydrate

Database identifiers

PubChem CID
70605083

Properties

Computed structural properties

Topological polar surface area
140 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
15
Rotatable bonds
18
Heavy atoms
59

Related reactions

2 records
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Compound notes

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