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Substance Name: Isoquinolium, 1,2,3,4,4a-beta,5,6,7,8,8a-beta-decahydro-7-beta-hydroxy-2,2-dimethyl-, bromide, p-anisate
RN: 28798-21-2
InChIKey: OBDXBGSEHJBESP-QUQDROCISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N-O3.Br

Molecular Weight

  • 398.338
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 28798-21-2

System Generated Number

  • 0028798212

Molecular Formulas

Molecular Formula

  • C19-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C19-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28NO3.BrH/c1-20(2)11-10-14-4-9-18(12-16(14)13-20)23-19(21)15-5-7-17(22-3)8-6-15;/h5-8,14,16,18H,4,9-13H2,1-3H3;1H/q+1;/p-1/t14-,16+,18+;/m0./s1

InChIKey

OBDXBGSEHJBESP-QUQDROCISA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12800ug/kg (12.8mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 913, 1970.
mouse LD50 oral 2775mg/kg (2775mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 913, 1970.