Suramin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 601
Total Number of Articles : 780
PubChem 5361
Molecular Formula

C51H40N6O23S6

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)

synonyms
  • suramin
  • Naganol
  • Suramine
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Properties
Property Value
MW 1297.3 g/mol
HBD 12
HBA 23
Rotatable Bond Count 16
Exact Mass 1296.0469086 g/mol
Monoisotopic Mass 1296.0469086 g/mol
Heavy Atom Count 86
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 3020
xlogp 1.5
Topological Polar Surface Area 534