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Substance Name: Solasulfone [INN]
RN: 133-65-3
UNII: H12JE4313S
InChIKey: WAGUNVVOQBKLDL-UHFFFAOYSA-J

Note

  • Used in drug therapy of leprosy.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C30-H28-N2-Na4-O14-S5
  • C30-H28-N2-O14-S5.4Na
  • C30-H32-N2-O14-S5.4Na

Molecular Weight

  • 892.8412
 
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Names and Synonyms

Name of Substance

  • Solasulfone
  • Solasulfone [INN]

Synonyms

  • 4,4'-Diamino-diphenyl-sulfon-di-(3-phenyl-propan-1,3-disulfonat)natrium (1:4)
  • 4,4'-Diamino-diphenyl-sulfon-di-(3-phenyl-propan-1,3-disulfonat)natrium (1:4) [German]
  • EINECS 205-116-7
  • Phenopryldiasulfone sodique
  • Solapsone
  • Solapsone [DCIT]
  • Solasulfona
  • Solasulfona [INN-Spanish]
  • Solasulfone
  • Solasulfonum
  • Solasulfonum [INN-Latin]
  • Sulfetrone
  • Sulphetrone
  • Tetrasodium salt of 1,1'-(sulfonylbis(p-phenylimino))bis-(3-phenyl-1,3-propanedisulfonic acid)
  • UNII-H12JE4313S

Systematic Names

  • 1,3-Propanedisulfonic acid, 1,1'-(sulfonylbis(p-phenyleneimino))bis(3-phenyl-, tetrasodium salt
  • Solasulfone
  • Tetrasodium salt of 1,1'-(sulfonylbis(p-phenylimino))bis-(3-phenyl-1,3-propanedisulfonic acid)

Registry Numbers

CAS Registry Number

  • 133-65-3

FDA UNII

  • H12JE4313S

System Generated Number

  • 0000133653

Molecular Formulas

Molecular Formulas

  • C30-H28-N2-Na4-O14-S5
  • C30-H28-N2-O14-S5.4Na
  • C30-H32-N2-O14-S5.4Na

Molecular Formula Fragments

  • C30-H28-N2-O14-S5
  • C30-H32-N2-O14-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H32N2O14S5.4Na/c33-47(34,25-15-11-23(12-16-25)31-29(50(41,42)43)19-27(48(35,36)37)21-7-3-1-4-8-21)26-17-13-24(14-18-26)32-30(51(44,45)46)20-28(49(38,39)40)22-9-5-2-6-10-22;;;;/h1-18,27-32H,19-20H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4

InChIKey

WAGUNVVOQBKLDL-UHFFFAOYSA-J

Smiles

c1ccc(cc1)C(CC(Nc2ccc(cc2)S(=O)(=O)c3ccc(cc3)NC(CC(c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2700mg/kg (2700mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
British Journal of Pharmacology and Chemotherapy. Vol. 3, Pg. 15, 1948.
rat LD50 intravenous 4500mg/kg (4500mg/kg)   American Review of Tuberculosis. Vol. 60, Pg. 62, 1949.
rat LDLo oral 4gm/kg (4000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 213, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.730 (none)   EST
Atmospheric OH Rate Constant 8.00E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.