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Substance Name: Kaldil
RN: 16960-31-9
UNII: 43N8U1617B
InChIKey: SMKJPZGXRDEGNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O5-S.C20-H21-N-O4

Molecular Weight

  • 641.698
 
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Names and Synonyms

Results Name

  • Kaldil

Name of Substance

  • LBC-324

Synonyms

  • Kadil
  • Kaldil
  • LBC 324
  • Theophyllinyl-7 omega-n-propane sulfonate de papaverine
  • Theophyllinyl-7 omega-n-propane sulfonate de papaverine [French]
  • UNII-43N8U1617B

Systematic Name

  • Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 6,7-dimethoxy-1-veratrylisoquinoline

Registry Numbers

CAS Registry Number

  • 16960-31-9

FDA UNII

  • 43N8U1617B

System Generated Number

  • 0016960319

Molecular Formulas

Molecular Formula

  • C10-H14-N4-O5-S.C20-H21-N-O4

Molecular Formula Fragments

  • C10-H14-N4-O5-S
  • C20-H21-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO4.C10H14N4O5S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19/h5-8,10-12H,9H2,1-4H3;6H,3-5H2,1-2H3,(H,17,18,19)

InChIKey

SMKJPZGXRDEGNE-UHFFFAOYSA-N

Smiles

c1(c2c(ccn1)cc(OC)c(OC)c2)Cc1cc(c(cc1)OC)OC.n1(cnc2n(c(n(c(c12)=O)C)=O)C)CCCS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Therapie. Vol. 22, Pg. 1487, 1967.
mouse LD50 intravenous 75mg/kg (75mg/kg)   Therapie. Vol. 22, Pg. 1487, 1967.