3-Quinuclidinylxanthene-9-carboxylic acid hemioxalate salt - CAS 82326-74-7
Catalog: |
BB036793 |
Product Name: |
3-Quinuclidinylxanthene-9-carboxylic acid hemioxalate salt |
CAS: |
82326-74-7 |
Synonyms: |
1-azabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate;oxalic acid |
IUPAC Name: | 1-azabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate;oxalic acid |
Description: | 3-Quinuclidinylxanthene-9-carboxylic acid hemioxalate salt (CAS# 82326-74-7 ) is a useful research chemical. |
Molecular Weight: | 380.41 |
Molecular Formula: | C44H44N2O10 |
Canonical SMILES: | C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.C(=O)(C(=O)O)O |
InChI: | InChI=1S/2C21H21NO3.C2H2O4/c2*23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20;3-1(4)2(5)6/h2*1-8,14,19-20H,9-13H2;(H,3,4)(H,5,6) |
InChI Key: | KBKSAAZOXNEJTC-UHFFFAOYSA-N |
LogP: | 6.15460 |
Publication Number | Title | Priority Date |
AU-2010260177-A1 | Novel [3,2-c] heteroaryl steroids as glucocorticoid receptor agonists, compositions and uses thereof | 20090616 |
CA-2764830-A1 | Novel [3,2-c] heteroaryl steroids as glucocorticoid receptor agonists, compositions and uses thereof | 20090616 |
EP-2443134-A2 | NOVEL [3,2-c]HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS, COMPOSITIONS AND USES THEREOF | 20090616 |
MX-2011013679-A | STEROIDS OF HETEROARILO [3.2-C] NEW AS A GLUCOCORTICOID RECEPTOR AGONIST COMPOSITIONS AND USE OF THEM. | 20090616 |
TW-201111392-A | Novel [3,2-c] heteroaryl steroids as glucocorticoid receptor agonists, compositions and uses thereof | 20090616 |
Complexity: | 551 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 760.2995956 |
Formal Charge: | 0 |
Heavy Atom Count: | 56 |
Hydrogen Bond Acceptor Count: | 12 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 760.2995956 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 152 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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Quinuclidines
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