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Home Carboxys 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd.with 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol(1:1)OTHER CA INDEX NAMES:Phenol, 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]-,4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1) (salt)

2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd.with 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol(1:1)OTHER CA INDEX NAMES:Phenol, 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]-,4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1) (salt)

CAS No.:
68813-55-8
Catalog Number:
AG01DPYQ
Molecular Formula:
C36H32N2O7
Molecular Weight:
604.6485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLC)
In Stock USA
United States
$53
- +
100mg
98%(HPLC)
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG01DPYQ
Chemical Name:
2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd.with 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol(1:1)OTHER CA INDEX NAMES:Phenol, 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]-,4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1) (salt)
CAS Number:
68813-55-8
Molecular Formula:
C36H32N2O7
Molecular Weight:
604.6485
MDL Number:
MFCD19105662
IUPAC Name:
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
InChI:
InChI=1S/C23H16O6.C13H16N2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10,16H,3,8-9H2,1H3/b;7-6+
InChI Key:
CCOAINFUFGBHBA-UETGHTDLSA-N
SMILES:
OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.Oc1cccc(c1)/C=C/C1=NCCCN1C
EC Number:
272-332-6
UNII:
UPY1D732T0
NSC Number:
759296
Properties
Complexity:
854  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
604.221g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
604.659g/mol
Monoisotopic Mass:
604.221g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Mechanisms underlying gut dysfunction in a murine model of chronic parasitic infection. American journal of physiology. Gastrointestinal and liver physiology 20101201
Targeting of the orphan receptor GPR35 by pamoic acid: a potent activator of extracellular signal-regulated kinase and β-arrestin2 with antinociceptive activity. Molecular pharmacology 20101001
Field evaluation of the efficacy and the safety of a combination of oxantel/pyrantel/praziquantel in the treatment of naturally acquired gastrointestinal nematode and/or cestode infestations in dogs in Europe. Veterinary parasitology 20070410
Properties