chempirical

Jing ming

C18H10N4Na2O6S2CAS 3863-80-7488.40 g/mol

Open in Covalent MOL file
O−SOOHNNSO−OONHNNa+Na+
Secondary amineSulfonic acid

Properties

Molecular formula
C18H10N4Na2O6S2
Molar mass
488.40 g/mol
Exact mass
487.9837 Da
logP
1.44Crippen estimate
Polar surface area
157.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
2

Identifiers

CAS number
3863-80-7
SMILES
[O-]S(=O)(=O)c1ccc2Nc3cc4=Nc5cc(S([O-])(=O)=O)ccc5Nc4cc3=Nc2c1.[Na+].[Na+]
InChIKey
VEWTWCXUHBUOJF-UHFFFAOYSA-N
InChI
InChI=1S/C18H12N4O6S2.2Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;;/h1-8,19-20H,(H,23,24,25)(H,26,27,28);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Quinoxalino[2,3-B]phenazine-2,9-disulfonic acid, 5,12-dihydro-, sodium salt (1:2)
  • Quinoxalino[2,3-b]phenazine-2,9-disulfonic acid, 5,12-dihydro-, disodium salt
  • Phacolysine
  • Quinax
  • Phacolin

Work with Jing ming

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disodium 2,6-naphthalenedisulfonate1655-45-447 % similar Disodium 2,7-naphthalenedisulfonate1655-35-246 % similar Disodium m-benzenedisulfonate831-59-445 % similar Indigo carmine860-22-045 % similar Sodium xylenesulfonate1300-72-743 % similar Sodium 2-naphthalenesulfonate532-02-543 % similar Sodium diphenylamine-4-sulfonate6152-67-642 % similar Disodium anthraquinone-2,7-disulfonate853-67-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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