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Substance Name: Theophyllinyl-7 propane-3 sulfonate de N-methylhyoscine
RN: 52692-73-6
InChIKey: CEQHVFZVZYTNHN-NPEPPISESA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N-O4.C10-H13-N4-O5-S.3H2-O

Molecular Weight

  • 619.6923
 
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Names and Synonyms

Results Name

  • Theophyllinyl-7 propane-3 sulfonate de N-methylhyoscine

Synonyms

  • Theophyllinyl-7 propane-3 sulfonate de N-methylhyoscine
  • Theophyllinyl-7 propane-3 sulfonate de N-methylhyoscine [French]

Systematic Name

  • 3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 9,9-dimethyl-3-(3-hydroxy-1-oxo-2-phenylpropxy)-, (7(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta)-, salt with 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonate, hydrate (1:1:3)

Registry Numbers

CAS Registry Number

  • 52692-73-6

System Generated Number

  • 0052692736

Molecular Formulas

Molecular Formula

  • C18-H24-N-O4.C10-H13-N4-O5-S.3H2-O

Molecular Formula Fragments

  • C10-H13-N4-O5-S
  • C18-H24-N-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H24NO4.C10H14N4O5S/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19/h3-7,12-17,20H,8-10H2,1-2H3;6H,3-5H2,1-2H3,(H,17,18,19)/q+1;/p-1/t12-,13-,14+,15-,16?,17?;/m1./s1

InChIKey

CEQHVFZVZYTNHN-NPEPPISESA-M

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCS(=O)(=O)[O-].C[N+]1([C@@H]2C[C@@H](C[C@H]1C3C2O3)OC(=O)[C@H](CO)c4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 72mg/kg (72mg/kg)   French Demande Patent Document. Vol. #2175527,
mouse LD50 oral 1500mg/kg (1500mg/kg)   French Demande Patent Document. Vol. #2175527,