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Substance Name: 7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-, monohydrochloride, (+-)-, (6-aRS,10-aRS)
RN: 80952-17-6
InChIKey: PTUOLUUBVUGVEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O.Cl-H

Molecular Weight

  • 250.727
 
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Names and Synonyms

Synonyms

  • (+-)-trans-9-Oxaergoline hydrochloride
  • (6-aRS,10-aRS)-4,6,6a,8,9,10a-Hexahydro-7H-indolo(3,4-gh)(1,4)benzoxazine hydrochloride

Systematic Name

  • 7H-Indolo(3,4-gh)(1,4)benzoxazine, 4,6,6a,8,9,10a-hexahydro-, monohydrochloride, (+-)-, (6-aRS,10-aRS)

Registry Numbers

CAS Registry Number

  • 80952-17-6

System Generated Number

  • 0080952176

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O.Cl-H

Molecular Formula Fragments

  • C13-H14-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14N2O.ClH/c1-2-9-12-8(7-15-10(12)3-1)6-11-13(9)16-5-4-14-11;/h1-3,7,11,13-15H,4-6H2;1H

InChIKey

PTUOLUUBVUGVEC-UHFFFAOYSA-N

Smiles

c12c3[C@@H]4[C@@H]([NH2+]CCO4)Cc1c[nH]c2ccc3.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 522, 1983.