5,6-Dihydro-9,10-dimethoxybenzo(g)benzo-1,3-dioxolo(5,6-a)quinolizinium 5-oxo-L-prolinate

CAS

93804-96-7

Catalog Number

ACM93804967

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of the compound?

The molecular formula of the compound is C25H24N2O7.

What are the synonyms of the compound?

The synonyms of the compound include 93804-96-7 and EINECS 298-475-4.

When was the compound created and modified?

The compound was created on 2009-08-20 and modified on 2023-12-30.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0 2,10 .0 4,8 .0 15,20 ]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;(2S)-5-oxopyrrolidine-2-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C20H18NO4.C5H7NO3/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;7-4-2-1-3(6-4)5(8)9/h3-4,7-10H,5-6,11H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)/q+1;/p-1/t;3-/m.0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is GFNVLLKVQVYDNO-HVDRVSQOSA-M.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.C1CC(=O)NC1C(=O)[O-].

What is the molecular weight of the compound?

The molecular weight of the compound is 464.5 g/mol.

How many hydrogen bond acceptors does the compound have?

The compound has 7 hydrogen bond acceptors.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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