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Substance Name: Methylscopolamine methosulfate
RN: 18067-13-5
UNII: R044N53C06
InChIKey: KHMGIQHRSVLFQG-RAFJPFSSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N-O4.C-H3-O4-S

Molecular Weight

  • 429.4873
 
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Names and Synonyms

Results Name

  • Methylscopolamine methosulfate

Name of Substance

  • N-Methylscopolamine methylsulfate [JAN]

Synonyms

  • (S)-6beta,7beta-Epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tropanium-methylsulfat
  • CERM 1290
  • Daipin
  • DD 234
  • EINECS 241-975-4
  • Espasmo gasium
  • Methylscopolamine methyl sulfate
  • Methylscopolammonium methylsulfate
  • N-Methylhyoscin methylsulfat
  • N-Methylhyoscine methyl sulfate
  • N-Methylscopolamine methosulfate
  • N-Methylscopolamine methyl sulfate
  • N-Methylscopolamine methylsulfate
  • N-Methylscopolaminium methylsulfat
  • Sandrix
  • Ulix
  • UNII-R044N53C06
  • Vitasterin

Systematic Names

  • (7(S)-(1alpha2beta,4beta,5alpha,7beta))-7-(3-Hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.02,4)nonane methyl sulphate
  • 1-alpha-H,5-alpha-H-Tropanium, 6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, methyl sulfate, (-)-tropate

Registry Numbers

CAS Registry Number

  • 18067-13-5

FDA UNII

  • R044N53C06

Related Registry Number

  • 13265-10-6 (Parent)

System Generated Number

  • 0018067135

Molecular Formulas

Molecular Formula

  • C18-H24-N-O4.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C18-H24-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24NO4.CH4O4S/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;1-5-6(2,3)4/h3-7,12-17,20H,8-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1

InChIKey

KHMGIQHRSVLFQG-RAFJPFSSSA-M

Smiles

COS(=O)(=O)[O-].C[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 116mg/kg (116mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
mouse LD50 intravenous 36900ug/kg (36.9mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
mouse LD50 oral 3010mg/kg (3010mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
mouse LD50 subcutaneous 558mg/kg (558mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 intraperitoneal 212mg/kg (212mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 intravenous 56800ug/kg (56.8mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 oral 5590mg/kg (5590mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 subcutaneous 1340mg/kg (1340mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.