Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-
RN: 80952-19-8
InChIKey: GDRQSZRRGTYYHE-SWYZXDRTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-Br-N2-O.Cl-H

Molecular Weight

  • 371.704
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • (+-)-2-Bromo-6-propyl-9-oxaergoline hydrochloride
  • (6aRS,10aRS)-4,6,6a,8,9,10a-Hexahydro-5-bromo-7-propyl-7H-indolo(3,4-gh)(1,4)benzoxazine HCl

Systematic Name

  • 9-Oxaergoline, 2-bromo-6-propyl-, monohydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 80952-19-8

System Generated Number

  • 0080952198

Molecular Formulas

Molecular Formula

  • C16-H19-Br-N2-O.Cl-H

Molecular Formula Fragments

  • C16-H19-Br-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19BrN2O.ClH/c1-2-6-19-7-8-20-15-10-4-3-5-12-14(10)11(9-13(15)19)16(17)18-12;/h3-5,13,15,18H,2,6-9H2,1H3;1H/t13-,15-;/m1./s1

InChIKey

GDRQSZRRGTYYHE-SWYZXDRTSA-N

Smiles

CCCN1CCO[C@H]2[C@H]1Cc3c4c2cccc4[nH]c3Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 522, 1983.