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Structure

O-Desmethyl Quinidine

CAS
70877-75-7
Catalog Number
ACM70877757
Category
Main Products
Molecular Weight
310.39
Molecular Formula
C19H22N2O2

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Specification

Synonyms
6'-Hydroxycinchonine
Melting Point
149 - 152 °C
Appearance
Solid
What is the molecular formula of O-Desmethyl Quinidine?

The molecular formula of O-Desmethyl Quinidine is C19H22N2O2.

What are the synonyms for O-Desmethyl Quinidine?

The synonyms for O-Desmethyl Quinidine are Cupreidine, 70877-75-7, CINCHONAN-6',9-DIOL, (9S)-, and 4-((S)-Hydroxy((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)quinolin-6-ol.

What is the molecular weight of O-Desmethyl Quinidine?

The molecular weight of O-Desmethyl Quinidine is 310.4 g/mol.

When was O-Desmethyl Quinidine created and modified?

O-Desmethyl Quinidine was created on October 26, 2006, and modified on October 21, 2023.

What is the IUPAC name of O-Desmethyl Quinidine?

The IUPAC name of O-Desmethyl Quinidine is 4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol.

What is the InChI of O-Desmethyl Quinidine?

The InChI of O-Desmethyl Quinidine is InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19-/m0/s1.

What is the InChIKey of O-Desmethyl Quinidine?

The InChIKey of O-Desmethyl Quinidine is VJFMSYZSFUWQPZ-WXPXUSHHSA-N.

What is the canonical SMILES of O-Desmethyl Quinidine?

The canonical SMILES of O-Desmethyl Quinidine is C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)O)O.

What is the CAS number of O-Desmethyl Quinidine?

The CAS number of O-Desmethyl Quinidine is 70877-75-7.

What is the XLogP3 value of O-Desmethyl Quinidine?

The XLogP3 value of O-Desmethyl Quinidine is 2.6.

Upstream Synthesis Route 1

  • 56-54-2
  • 70877-75-7

Reference: [1]Current Patent Assignee: WILLIAM MARSH RICE UNIVERSITY - WO2017/180248, 2017, A1
Location in patent: Page/Page column 67; 68

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