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Isometheptene mucate

  • Name Isometheptene mucate
  • EINECS231-315-3
  • CAS No. 7492-31-1
  • Densityg/cm3
  • PSA323.07000
  • LogP-4.07000
  • SolubilityN/A
  • Melting Point140-142°C
  • Formula2(C9H19N).C6H10O8
  • Boiling Point706.9 °C at 760 mmHg
  • Molecular Weight351.4
  • Flash Point381.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety22-36
  • Risk Codes40
  • Molecular Structure
    Molecular Structure of 7492-31-1 (Isometheptene mucate)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data3

Isometheptene mucate Chemical Properties

Molecule structure of Isometheptene mucate (CAS NO.7492-31-1):

IUPAC Name: N,6-Dimethylhept-5-en-2-amine;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
Molecular Weight: 492.64652 [g/mol]
Molecular Formula: C24H48N2O8
Flash Point: 381.3 °C
Enthalpy of Vaporization: 118.18 kJ/mol
Boiling Point: 706.9 °C at 760 mmHg
Vapour Pressure: 4.28E-23 mmHg at 25 °C 
H-Bond Donor: 8
H-Bond Acceptor: 10
Rotatable Bond Count: 13
Exact Mass: 492.341067
MonoIsotopic Mass: 492.341067
Topological Polar Surface Area: 180
Heavy Atom Count: 34
Complexity: 303
Defined Atom StereoCenter Count: 4
Undefined Atom StereoCenter Count: 2
Covalently-Bonded Unit Count: 3
Canonical SMILES: CC(CCC=C(C)C)NC.CC(CCC=C(C)C)NC.C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
Isomeric 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
InChI: 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
EINECS: 231-315-3
Product Categories of Isometheptene mucate (CAS NO.7492-31-1): API's

Isometheptene mucate Toxicity Data With Reference

 

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.

Isometheptene mucate Specification

 Isometheptene mucate (CAS NO.7492-31-1) is also called Isometheptene mucate [USAN] ; Isocom ; 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) ; N,1,5-Trimethyl-4-hexenylamine mucate ; Octin mucate ; 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) .

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