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Substance Name: Isoquinolium, 1,2,3,4,4a-beta,5,6,7,8,8a-beta-decahydro-2-ethyl-7-alpha-hydroxy-2-methyl-, bromide, p-anisate
RN: 28798-16-5
InChIKey: KIJQDKHRKBCMOI-SBHIGMQMSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N-O3.Br

Molecular Weight

  • 412.365
 
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Names and Synonyms

  • Isoquinolium, 1,2,3,4,4a-beta,5,6,7,8,8a-beta-decahydro-2-ethyl-7-alpha-hydroxy-2-methyl-, bromide, p-anisate

Registry Numbers

CAS Registry Number

  • 28798-16-5

System Generated Number

  • 0028798165

Molecular Formulas

Molecular Formula

  • C20-H30-N-O3.Br

Molecular Formula Fragments

  • Br
  • C20-H30-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30NO3.BrH/c1-4-21(2)12-11-15-5-10-19(13-17(15)14-21)24-20(22)16-6-8-18(23-3)9-7-16;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H/q+1;/p-1/t15-,17+,19-,21?;/m1./s1

InChIKey

KIJQDKHRKBCMOI-SBHIGMQMSA-M

Smiles

[BrH-].c1(ccc(cc1)OC)C(O[C@@H]1CC[C@@H]2CC[N@@+](C[C@H]2C1)(C)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12200ug/kg (12.2mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 913, 1970.