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Substance Name: 1-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline
RN: 36120-58-8
InChIKey: XGMGYAMJDYPOES-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N2-O4

Molecular Weight

  • 302.328
 
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Names and Synonyms

Name of Substance

  • 1-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline

Synonyms

  • 1,2,3,4-Tetrahydro-1-(3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)-6,7-isoquinolinediol
  • 1-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline

Systematic Name

  • 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 36120-58-8

System Generated Number

  • 0036120588

Structure Descriptors

InChI

1S/C16H18N2O4/c1-8-16(22)14(10(7-19)6-18-8)15-11-5-13(21)12(20)4-9(11)2-3-17-15/h4-6,15,17,19-22H,2-3,7H2,1H3

InChIKey

XGMGYAMJDYPOES-UHFFFAOYSA-N

Smiles

N1[C@@H](c2cc(c(cc2CC1)O)O)c1c(c(ncc1CO)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 2250mg/kg (2250mg/kg)   United States Patent Document. Vol. #4190660,
mouse LD oral > 2250mg/kg (2250mg/kg)   United States Patent Document. Vol. #4190660,