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Suramin sodium

CAT: 0024-sc-507209Size: 50 mgDry Ice: NoHazardous: No
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CAS Number
129-46-4

Chemical Information

Suramin Sodium

Suramin sodium is an organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness. It has a role as an antinematodal drug, an antineoplastic agent, a trypanocidal drug, an EC 2.7.11.13 (protein kinase C) inhibitor, a GABA-gated chloride channel antagonist, an angiogenesis inhibitor, a GABA antagonist, a ryanodine receptor agonist, an apoptosis inhibitor and a purinergic receptor P2 antagonist. It contains a suramin(6-).

CAS Number129-46-4
PubChem CID8514
IUPAC Namehexasodium;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular FormulaC51H34N6Na6O23S6
Molecular Weight1429.2
Topological Polar Surface Area551
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count23
Rotatable Bond Count10
Heavy Atom Count92
Formal Charge0
Complexity2940
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.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C51H40N6O23S6.6Na/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);;;;;;/q;6*+1/p-6
InChIKey
VAPNKLKDKUDFHK-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Suramin Sodium
CAS: 129-46-4
CID: 8514
Formula: C51H34N6Na6O23S6
MW: 1429.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1429.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count23
Rotatable Bond Count10
Exact Mass1427.9385741
Monoisotopic Mass1427.9385741
Topological Polar Surface Area551 Ų
Heavy Atom Count92
Formal Charge0
Complexity2940
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes