Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isometheptene bitartrate
RN: 5984-50-9
UNII: C4625WF7BM
InChIKey: HLRDXBKIKFQOFS-LREBCSMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H19-N.C4-H6-O6

Molecular Weight

  • 291.341
 
* 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

Results Name

  • Isometheptene bitartrate

Name of Substance

  • Isometheptene bitartrate

Synonyms

  • 2-Methylamino-iso-octene bitartrate
  • EINECS 227-795-9
  • Isometheptene bitartrate
  • Octin bitartrate
  • UNII-C4625WF7BM

Systematic Names

  • (R-(R*,R*))-Methyl(1,5-dimethylhex-4-enyl)ammonium hydrogen tartrate
  • 4-Hexenylamine, N,1,5-trimethyl-, tartrate (1:1)
  • 5-Hepten-2-amine, N,6-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (9CI)

Registry Numbers

CAS Registry Number

  • 5984-50-9

FDA UNII

  • C4625WF7BM

Related Registry Number

  • 503-01-5 (Parent)

System Generated Number

  • 0005984509

Molecular Formulas

Molecular Formula

  • C9-H19-N.C4-H6-O6

Molecular Formula Fragments

  • C4-H6-O6
  • C9-H19-N
  • COMPONENT

Structure Descriptors

InChI

1S/C9H19N.C4H6O6/c1-8(2)6-5-7-9(3)10-4;5-1(3(7)8)2(6)4(9)10/h6,9-10H,5,7H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

InChIKey

HLRDXBKIKFQOFS-LREBCSMRSA-N

Smiles

C([C@@H]([C@H](C(O)=O)O)O)(O)=O.C(C[C@@H](NC)C)\C=C(/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 130mg/kg (130mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 235, 1944.