suramin

Suramin A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.

Molecular Formula: C₅₁H₄₀N₆O₂₃S₆

InChI: InChI=1/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)/f/h52-57,63,66,69,72,75,78H

InChIKey: InChIKey=FIAFUQMPZJWCLV-YJZMAWKGCG
SMILES: Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

CAS number 145-63-1

Names:
    Belganyl
    C07974
    Naganol
    Naphuride
    suramin
    Suramin
    suramin
    145-63-1
    8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid

Registries:
    PubChem CID 5361
    Beilstein =3230873
    Beilstein =8185304
    CAS 145-63-1 (from NIST)
    ChEBI 9363
    chemPDB SVR
    Kegg C07974
    PubChem ID 10175