(Dhqd)2pyr

CAS

149725-81-5

Catalog Number

ACM149725815

Category

Main Products

Molecular Weight

881.11

Molecular Formula

C₅₆H₆₀N₆O₄

MSDS COA Spec Sheet

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Specification

Synonyms

(DHQD)2Pyr, Hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl diether, 149725-81-5, 418951_ALDRICH, CTK8E7313

IUPAC Name

4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline

Canonical SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1

InChI Key

SWKRDCRSJPRVNF-DOGDSVMGSA-N

Melting Point

247-250ºC(lit.)

EC Number

604-699-9

Exact Mass

880.46800

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S36

What is the molecular formula of keyword (Dhqd)2pyr?

The molecular formula of keyword (Dhqd)2pyr is C56H60N6O4.

What are the synonyms for keyword (Dhqd)2pyr?

The synonyms for keyword (Dhqd)2pyr are (DHQD)2-PYR and 4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline.

What is the molecular weight of keyword (Dhqd)2pyr?

The molecular weight of keyword (Dhqd)2pyr is 881.1 g/mol.

When was keyword (Dhqd)2pyr created?

Keyword (Dhqd)2pyr was created on October 25, 2006.

When was keyword (Dhqd)2pyr last modified?

Keyword (Dhqd)2pyr was last modified on October 21, 2023.

What is the IUPAC name of keyword (Dhqd)2pyr?

The IUPAC name of keyword (Dhqd)2pyr is 4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline.

What is the InChIKey of keyword (Dhqd)2pyr?

The InChIKey of keyword (Dhqd)2pyr is SWKRDCRSJPRVNF-DOGDSVMGSA-N.

What is the Canonical SMILES representation of keyword (Dhqd)2pyr?

The Canonical SMILES representation of keyword (Dhqd)2pyr is CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1.

What is the CAS number of keyword (Dhqd)2pyr?

The CAS number of keyword (Dhqd)2pyr is 149725-81-5.

What is the hydrogen bond acceptor count of keyword (Dhqd)2pyr?

The hydrogen bond acceptor count of keyword (Dhqd)2pyr is 10.