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52479-85-3,MFCD00082966
Catalog No.:AA003IBG
52479-85-3 | 2,3,3',4,4',5'-Hexahydroxybenzophenone
Pack Size
Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$59.00   $41.00
- +
5g
95%
in stock  
$149.00   $104.00
- +
25g
95%
in stock  
$494.00   $346.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IBG
Chemical Name:
2,3,3',4,4',5'-Hexahydroxybenzophenone
CAS Number:
52479-85-3
Molecular Formula:
C13H10O7
Molecular Weight:
278.2143
MDL Number:
MFCD00082966
IUPAC Name:
(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
InChI:
InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
InChI Key:
XEDWWPGWIXPVRQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1O)O)O)c1cc(O)c(c(c1)O)O
EC Number:
257-945-9
UNII:
38K9TOD4EG
NSC Number:
680919
Properties
Computed Properties
 
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.043g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
278.216g/mol
Monoisotopic Mass:
278.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
Adlone 
exifone 
Exifonum [INN-Latin] 
Exifona [INN-Spanish] 
UNII-38K9TOD4EG 
(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone 
EINECS 257-945-9 
NSC 680919 
BRN 3401917 
38K9TOD4EG 
NSC680919 
Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)- 
hexahydro-2,3,4,3',4',5'-benzophenone 
DSSTox_CID_24950 
DSSTox_RID_80610 
DSSTox_GSID_44950 
W-105820 
Exifona 
Exifonum 
CAS-52479-85-3 
hexahydro-2,3,4,3',4',5'-benzophenone 
ACMC-1AL9V 
AC1L23NI 
EXIFONE 
Polyhydroxy benzophenone, 10 
3-08-00-04364 (Beilstein Handbook Reference) 
SCHEMBL273096 
CHEMBL329522 
DTXSID9044950 
CTK7F6798 
CHEBI:125609 
XEDWWPGWIXPVRQ-UHFFFAOYSA-N 
BDBM234394 
KS-000012OD 
52479-85-3 
ZINC3775294 
Tox21_113656 
Tox21_201450 
Tox21_303559 
ANW-31471 
MFCD00082966 
AKOS015904176 
CCG-208095 
KS-5168 
NSC-680919 
2,3,3',4,4',5'-Hexahydroxybenzophenone 
VZ22066 
2,3,3',4,4'-Hexahydrobenzoxyphenone 
2,3,3,4,4,5-Hexahydroxybenzophenone 
NCGC00249050-01 
NCGC00249050-02 
NCGC00257438-01 
NCGC00259001-01 
72841-23-7 
AJ-45569 
AN-41029 
Adlone 
CC-06575 
LS-91331 
AX8014551 
DB-019631 
TC-120216 
3,4,5,4',5',6'-hexahydroxy benzophenone 
FT-0614115 
2,3,3\',4,4\',5\'-Hexahydroxybenzophenone 
479H853 
A829106 
(2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone 
C-17491 
SR-01000944884 
SR-01000944884-1 
BRD-K65716359-001-01-3 
[2,3,4-trihydroxyphenyl] [3',4',5'-trihydroxyphenyl] methanone 
[2,3,4-tris(oxidanyl)phenyl]-[3,4,5-tris(oxidanyl)phenyl]methanone 
C13H10O7 
CID40399 
C13-H10-O7 
2,3,4,3',4',5'-Hexahydroxybenzophenon 
4-Galloylpyrogallol 
3,4,5,2',3',4'-Hexahydroxybenzophenone 
H1065 
C052932 
Exifone [INN] 
Literature

Title: Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Journal: PLoS computational biology 20111201

Title: Synthesis and biological evaluation of polyhydroxy benzophenone as mushroom tyrosinase inhibitors.

Journal: Journal of enzyme inhibition and medicinal chemistry 20110601

Title: Novel strategies for drug discovery based on Intrinsically Disordered Proteins (IDPs).

Journal: International journal of molecular sciences 20110101

Title: Characterization of inhibitor-bound alpha-synuclein dimer: role of alpha-synuclein N-terminal region in dimerization and inhibitor binding.

Journal: Journal of molecular biology 20100122

Title: A cellular model to monitor proteasome dysfunction by alpha-synuclein.

Journal: Biochemistry 20090825

Title: A convenient approach for evaluating the toxicity profiles of in vitro neuroprotective alkylaminophenol derivatives.

Journal: Free radical biology & medicine 20060301

Title: Synergistic antimalarial activity of ketones with rufigallol and vitamin C.

Journal: Parasitology 20051001

Title: The neuroprotective activity of 8-alkylamino-1,4-benzoxazine antioxidants.

Journal: European journal of pharmacology 20010727

Title: [A case of hepatitis caused by exifone and bezafibrate].

Journal: Gastroenterologie clinique et biologique 19890401

Title: The effects of exifone, a new agent for senile memory disorder, on two models of memory in the mouse.

Journal: Pharmacology, biochemistry, and behavior 19870601

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