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oxantel pamoate

oxantel pamoate

CAS: 68813-55-8

Formula: C36H32N2O7

SMILES: CN1CCCN=C1\C=C\C1=CC(O)=CC=C1.OC(=O)C1=CC2=CC=CC=C2C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C1O

IUPAC: 3-[(1E)-2-(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]phenol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

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+

Composition: C (71.51%), H (5.33%), N (4.63%), O (18.52%)

Molar Mass: 604.659

Atom Count: 77

Heavy Atom Count: 45

Properties
Properties
Common Names oxantel pamoate
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 604.220951378
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey CCOAINFUFGBHBA-UETGHTDLSA-N
Lipinski's Rule of Five
Molar Refractivity 107.17
Topological Polar Surface Area 115.06
Polarizability 42.55
Ring Count 6
Rotatable Bond Count 6

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