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Oxyphenisatine

CAS No.:
125-13-3
Catalog Number:
AG000MYN
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
1 week
United States
$140
- +
Product Description
Catalog Number:
AG000MYN
Chemical Name:
Oxyphenisatine
CAS Number:
125-13-3
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
MDL Number:
MFCD00022794
IUPAC Name:
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
InChI:
InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)
InChI Key:
SJDACOMXKWHBOW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2
EC Number:
204-728-1
UNII:
3BT0VQG2GQ
NSC Number:
59814
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Ornidazole-induced autoimmune hepatitis. The Turkish journal of gastroenterology : the official journal of Turkish Society of Gastroenterology 20111001
Novel small molecule drugs inhibit tumor cell metabolism and show potent anti-tumorigenic potential. Cancer chemotherapy and pharmacology 20110701
Synthesis and antitumor effect in vitro and in vivo of substituted 1,3-dihydroindole-2-ones. Journal of medicinal chemistry 20101014
Early detection of response to experimental chemotherapeutic Top216 with [18F]FLT and [18F]FDG PET in human ovary cancer xenografts in mice. PloS one 20100101
Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. Bioorganic & medicinal chemistry letters 20070515
Hepatic drug metabolism and adverse hepatic drug reactions. Veterinary pathology 19750101
Properties