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30748-29-9 | 3,5-Pyrazolidinedione, 4-(3-methyl-2-buten-1-yl)-1,2-diphenyl-
CAS No: 30748-29-9 Catalog No: AG003146 MDL No:MFCD00866063
Product Description
Catalog Number:
AG003146
Chemical Name:
3,5-Pyrazolidinedione, 4-(3-methyl-2-buten-1-yl)-1,2-diphenyl-
CAS Number:
30748-29-9
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
MDL Number:
MFCD00866063
IUPAC Name:
4-(3-methylbut-2-enyl)-1,2-diphenylpyrazolidine-3,5-dione
InChI:
InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3
InChI Key:
RBBWCVQDXDFISW-UHFFFAOYSA-N
SMILES:
CC(=CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)C
EC Number:
250-324-3
UNII:
7BVX6J0CGR
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Retrospective analysis of drug-induced urticaria and angioedema: a survey of 2287 patients. | Immunopharmacology and immunotoxicology 20011101 |
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