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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-1-(2-bromophenyl)-6-methoxy-2-phenyl-
RN: 96719-47-0
InChIKey: XDFFYTDEZDZQNK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-Br-N-O

Molecular Weight

  • 394.31
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-1-(2-bromophenyl)-6-methoxy-2-phenylisoquinoline

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-1-(2-bromophenyl)-6-methoxy-2-phenyl-

Registry Numbers

CAS Registry Number

  • 96719-47-0

System Generated Number

  • 0096719470

Structure Descriptors

InChI

1S/C22H20BrNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3

InChIKey

XDFFYTDEZDZQNK-UHFFFAOYSA-N

Smiles

N1([C@@H](c2ccc(cc2CC1)OC)c1c(cccc1)Br)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 83, 1985.