chempirical
Back to Search

Molecule

Suramin Sodium

CAS: 129-46-4 · C51H40N6Na6O23S6

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
129-46-4
Molecular Formula
C51H40N6Na6O23S6
Molecular Mass
1435.24 g/mol

Identifiers

CAS Registry Number

129-46-4

SMILES

Cc1ccc(C(O)=Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1N=C(O)c1cccc(N=C(O)Nc2cccc(C(O)=Nc3cc(C(O)=Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1.[Na].[Na].[Na].[Na].[Na].[Na]

InChI Key

CAUQVVHSBBABOW-UHFFFAOYSA-N

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);;;;;;

Names and Synonyms

  • Suramin Sodium Common Name
  • 1,3,5-Naphthalenetrisulfonic acid, 8,8′-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, sodium salt (1:6) Synonym
  • 1,3,5-Naphthalenetrisulfonic acid, 8,8′-[ureylenebis[m-phenylenecarbonylimino(4-methyl-m-phenylene)carbonylimino]]di-, hexasodium salt Synonym
  • 1,3,5-Naphthalenetrisulfonic acid, 8,8′-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, hexasodium salt Synonym
  • Bayer 205 Synonym
  • 309F Synonym
  • Antrypol Synonym
  • Fourneau 309 Synonym
  • Hexasodium sym.-bis(m-aminobenzoyl)-m-amino-p-methylbenzoyl-1-naphthylamino-4,6,8-trisulfonate) carbamide Synonym
  • Moranyl Synonym
  • Naganin Synonym
  • Naganine Synonym
  • Naphuride sodium Synonym
  • Sodium suramin Synonym
  • Suramin sodium Synonym
  • 8,8′-[Ureylenebis[m-phenylene carbonylimino(4-methyl-m-phenylene)carbonylimino]]di(1,3,5-naphthalenetrisulfonic acid) hexasodium salt Synonym
  • Suramine sodium Synonym
  • BAY 205 Synonym
  • Germanin Synonym
  • Germanin (pharmaceutical) Synonym
  • NF 060 Synonym
  • CI 1003 Synonym
  • Suramin hexasodium Synonym
  • Naphuride Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 1435.24 g/mol CAS Common Chemistry
1435.242 g/mol RDKit
1441.248 g/mol chempirical lib
Canonical SMILES [Na].O=C(NC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2C)C(=O)NC3=CC=C(C4=CC(=CC(=C34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6C)C(=O)NC7=CC=C(C8=CC(=CC(=C78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O CAS Common Chemistry
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);;;;;; CAS Common Chemistry
InChI Key InChIKey=CAUQVVHSBBABOW-UHFFFAOYSA-N CAS Common Chemistry
Name Suramin sodium CAS Common Chemistry
Heavy Atom Count 92 RDKit
Hydrogen Bond Acceptors 17 RDKit
Hydrogen Bond Donors 12 RDKit
Rotatable Bonds 16 RDKit
Aromatic Ring Count 8 RDKit
Topological Polar Surface Area 501.2 Ų RDKit
LogP 6.008040000000004 RDKit
6.008 RDKit
Molar Refractivity 345.1993000000007 cm³/mol RDKit
Ring Count 8 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0392 RDKit
0.04 chempirical lib
Exact Mass 1433.9855232199995 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Convert

Quick conversion

MW = 1435.24 g/mol. Edit any field — others recompute live.

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close