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138932-35-1 | 1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4R,5S)-rel-
CAS No: 138932-35-1 Catalog No: AG0019VB MDL No:
Product Description
Catalog Number:
AG0019VB
Chemical Name:
1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-3-oxo-4,5-diphenyl-, (4R,5S)-rel-
CAS Number:
138932-35-1
Molecular Formula:
C22H18BrN3O2
Molecular Weight:
436.3012
IUPAC Name:
N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
InChI:
InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)
InChI Key:
LMUQHXHWJWQXSD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.058g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.309g/mol
Monoisotopic Mass:
435.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Effects of exogenous cholecystokinin octapeptide on acquisition of naloxone precipitated withdrawal induced conditioned place aversion in rats. | PloS one 20120101 |
| Cholecystokinin octapeptide inhibits immunoglobulin G1 production of lipopolysaccharide-activated B cells. | International immunopharmacology 20111101 |
| Analysis of strain difference in behavior to Cholecystokinin (CCK) receptor mediated drugs in PVG hooded and Sprague-Dawley rats using elevated plus-maze test apparatus. | Neuroscience letters 20040401 |
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