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Substance Name: Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-
RN: 115041-59-3
InChIKey: HXIQJMMNKDNKST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O2-S

Molecular Weight

  • 385.5293
 
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Names and Synonyms

Synonym

  • BRN 5141266

Systematic Name

  • Benzenamine, 4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 115041-59-3

System Generated Number

  • 0115041593

Structure Descriptors

InChI

1S/C21H27N3O2S/c22-19-6-8-21(9-7-19)27(25,26)13-3-10-23-11-12-24-15-18-5-2-1-4-17(18)14-20(24)16-23/h1-2,4-9,20H,3,10-16,22H2

InChIKey

HXIQJMMNKDNKST-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CC3CN(CCN3C2)CCCS(=O)(=O)c4ccc(cc4)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 761, 1987.