200,000+ products from a single source!
sales@angenechem.com
166974-23-8 | 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-[(E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-, sodium salt (1:1)
CAS No: 166974-23-8 Catalog No: AG001X2G MDL No:
Product Description
Catalog Number:
AG001X2G
Chemical Name:
1H-Indole-2-carboxylic acid, 4,6-dichloro-3-[(E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-, sodium salt (1:1)
CAS Number:
166974-23-8
Molecular Formula:
C20H13Cl2N2NaO3
Molecular Weight:
423.2246
IUPAC Name:
sodium;4,6-dichloro-3-[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl]-1H-indole-2-carboxylate
InChI:
InChI=1S/C20H14Cl2N2O3.Na/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13;/h1-5,8-10,23H,6-7H2,(H,26,27);/q;+1/p-1/b11-8+;
InChI Key:
QHGFBRVHKFAYAP-YGCVIUNWSA-M
SMILES:
Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C/1\CCN(C1=O)c1ccccc1)C(=O)[O-].[Na+]
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
422.02g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.225g/mol
Monoisotopic Mass:
422.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Chiral tetrahydroquinoline derivatives as potent anti-hyperalgesic agents in animal models of sustained inflammation and chronic neuropathic pain. | Bioorganic & medicinal chemistry letters 20070301 |
Related Products
© 2019 Angene International Limited. All rights Reserved.