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Substance Name: Isometheptene mucate [USP]
RN: 7492-31-1
UNII: 8O120FDS6P
InChIKey: WSXKZIDINJKWPM-IBGZLQDMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C18-H38-N2.C6-H10-O8
  • C9-H19-N.1/2C6-H10-O8

Molecular Weight

  • 492.6492
 
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Names and Synonyms

Name of Substance

  • Isometheptene mucate [USP]

Synonyms

  • 4-Hexenylamine, N,1,5-trimethyl-, compd. with galactaric acid (2:1)
  • 4-Hexenylamine, N,1,5-trimethyl-, galactarate (2:1)
  • 4-Hexenylamine, N,1,5-trimethyl-, mucate (2:1)
  • 6-Methylamino-2-methylheptene, tetrahydroxyadipic acid (2:1) (salt)
  • EINECS 231-315-3
  • Isometheptene mucate
  • N,1,5-Trimethyl-4-hexenylamine mucate
  • Octin mucate
  • UNII-8O120FDS6P

Systematic Names

  • Galactaric acid, compd. with N,1,5-trimethyl-4-hexenylamine (1:2)
  • Galactaric acid, compound with N,1,5-trimethylhex-4-en-1-ylamine (1:2)
  • Isometheptene, galactarate (2:1) (salt)

Mixture Name

  • Isocom

Registry Numbers

CAS Registry Number

  • 7492-31-1

FDA UNII

  • 8O120FDS6P

Related Registry Number

  • 503-01-5 (Parent)

System Generated Number

  • 0007492311

Molecular Formulas

Molecular Formulas

  • C18-H38-N2.C6-H10-O8
  • C9-H19-N.1/2C6-H10-O8

Molecular Formula Fragments

  • C18-H38-N2
  • C6-H10-O8
  • C9-H19-N
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t;;1-,2+,3+,4-

InChIKey

WSXKZIDINJKWPM-IBGZLQDMSA-N

Smiles

CC(CCC=C(C)C)NC.CC(CCC=C(C)C)NC.[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 148mg/kg (148mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948.