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Substance Name: Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-3,3-dimethyl-, 2-hydroxybenzoate
RN: 132681-02-8
InChIKey: RFBFEVWQBPFKEX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O4.C7-H6-O3

Molecular Weight

  • 507.5797
 
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Names and Synonyms

  • Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-3,3-dimethyl-, 2-hydroxybenzoate

Registry Numbers

CAS Registry Number

  • 132681-02-8

System Generated Number

  • 0132681028

Molecular Formulas

Molecular Formula

  • C22-H27-N-O4.C7-H6-O3

Molecular Formula Fragments

  • C22-H27-N-O4
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO4.C7H6O3/c1-22(2)13-15-11-20(26-5)21(27-6)12-16(15)17(23-22)9-14-7-8-18(24-3)19(10-14)25-4;8-6-4-2-1-3-5(6)7(9)10/h7-8,10-12H,9,13H2,1-6H3;1-4,8H,(H,9,10)

InChIKey

RFBFEVWQBPFKEX-UHFFFAOYSA-N

Smiles

CC1(Cc2cc(c(cc2C(=N1)Cc3ccc(c(c3)OC)OC)OC)OC)C.c1ccc(c(c1)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 882, 1990.