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Substance Name: Bay x 3702
RN: 144980-77-8
UNII: 1KBQ63168A
InChIKey: IGKYREHZJIHPML-UNTBIKODSA-N

Note

  • 5-HT(1A) receptor agonist.

Molecular Formula

  • C21-H24-N2-O4-S.Cl-H

Molecular Weight

  • 436.957
 

Classification Codes

  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Serotonin 5-HT1 Receptor Agonists
  • Serotonin Agents
  • Serotonin Receptor Agonists
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Names and Synonyms

Name of Substance

  • BAY X 3702

Synonyms

  • (-)-(R)-2-(4-((Chroman-2-ylmethyl)amino)butyl)-1,1-dioxo-1,2-benzisothiazol-3(2H)-one HCl
  • BAY X 3702
  • BAYX3702
  • Repinotan HCl
  • Repinotan hydrochloride
  • UNII-1KBQ63168A

Systematic Name

  • 1,2-Benzisothiazol-3(2H)-one, 2-(4-(((3,4-dihydro-2H-1-benzopyran-2-yl)methyl)amino)butyl)-, 1,1-dioxide, monohydrochloride, (-)-

Registry Numbers

CAS Registry Number

  • 144980-77-8

FDA UNII

  • 1KBQ63168A

System Generated Number

  • 0144980778

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O4-S.Cl-H

Molecular Formula Fragments

  • C21-H24-N2-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O4S.ClH/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17;/h1-4,7-10,17,22H,5-6,11-15H2;1H/t17-;/m1./s1

InChIKey

IGKYREHZJIHPML-UNTBIKODSA-N

Smiles

Cl.N(C[C@H]1CCc2c(O1)cccc2)CCCCN1C(c2ccccc2S1(=O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg)   Drugs of the Future. Vol. 22, Pg. 341, 1997.
mouse LD50 oral 324mg/kg (324mg/kg)   Drugs of the Future. Vol. 22, Pg. 341, 1997.
rat LD50 intravenous 13mg/kg (13mg/kg)   Drugs of the Future. Vol. 22, Pg. 341, 1997.
rat LD50 oral 324mg/kg (324mg/kg)   Drugs of the Future. Vol. 22, Pg. 341, 1997.