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Substance Name: 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
RN: 37415-52-4
InChIKey: SURRETGRDSOPKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O5.Cl-H

Molecular Weight

  • 405.876
 
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Names and Synonyms

Synonyms

  • 3(2H)-Isoquinolinone, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-, hydrochloride
  • 6,7-Dimethoxy-2-methyl-1-veratryl-3(2H)-isoquinolone hydrochloride
  • NSC 288751

Systematic Name

  • 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 37415-52-4

System Generated Number

  • 0037415524

Molecular Formulas

Molecular Formula

  • C21-H23-N-O5.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO5.ClH/c1-22-16(8-13-6-7-17(24-2)18(9-13)25-3)15-12-20(27-5)19(26-4)10-14(15)11-21(22)23;/h6-7,9-12H,8H2,1-5H3;1H

InChIKey

SURRETGRDSOPKP-UHFFFAOYSA-N

Smiles

c12=C(Cc3cc(c(OC)cc3)OC)[N+](C(=O)C=c1cc(OC)c(c2)OC)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 304mg/kg (304mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 15, Pg. 1131, 1972.
mouse LD50 oral 1gm/kg (1000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 15, Pg. 1131, 1972.