Basic Information | Post buying leads | Suppliers |
Name |
Isometheptene hydrochloride |
EINECS | N/A |
CAS No. | 6168-86-1 | Density | N/A |
PSA | 16.61000 | LogP | -1.68150 |
Solubility | N/A | Melting Point |
68-69° |
Formula | C9H19 N . Cl H | Boiling Point | 177.5°C at 760 mmHg |
Molecular Weight | 177.75 | Flash Point | 46.4°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal, intravenous, parenteral, and subcutaneous routes. An adrenergic agent. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Hexenylamine,N,1,5-trimethyl-, hydrochloride (6CI,8CI); 5-Hepten-2-amine, N,6-dimethyl-,hydrochloride (9CI); Isometheptene hydrochloride; NSC 13066 |
Product Name: Isometheptene hydrochloride (CAS NO.6168-86-1)
Molecular Formula: C9H20ClN
Molecular Weight: 177.7148g/mol
Mol File: 6168-86-1.mol
EINECS: 228-211-5
Boiling point: 177.5 °C at 760 mmHg
Flash Point: 46.4 °C
Enthalpy of Vaporization: 41.38 kJ/mol
Vapour Pressure: 1.04 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 1
Structure Descriptors of Isometheptene hydrochloride (CAS NO.6168-86-1):
IUPAC Name: N,6-dimethylhept-5-en-2-amine hydrochloride
Canonical SMILES: CC(CCC=C(C)C)NC.Cl
InChI: InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H
InChIKey: AUERTJOCDMCUAL-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 26mg/kg (26mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948. |
dog | LD50 | subcutaneous | 76mg/kg (76mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948. | |
frog | LDLo | parenteral | 200mg/kg (200mg/kg) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Quarterly Journal of Pharmacy & Pharmacology. Vol. 9, Pg. 647, 1936. |
mouse | LD50 | intravenous | 18mg/kg (18mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948. |
mouse | LD50 | subcutaneous | 171mg/kg (171mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948. | |
rabbit | LD50 | intravenous | 18mg/kg (18mg/kg) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948. |
rabbit | LD50 | subcutaneous | 101mg/kg (101mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 92, Pg. 214, 1948. | |
rat | LD50 | intraperitoneal | 70mg/kg (70mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 235, 1944. |
rat | LDLo | subcutaneous | 160mg/kg (160mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 71, Pg. 62, 1941. |
Poison by intraperitoneal, intravenous, parenteral, and subcutaneous routes. An adrenergic agent. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Isometheptene hydrochloride , its CAS NO. is 6168-86-1, the synonyms are 2-Methylaminoisooctane hydrochloride ; EINECS 228-211-5 ; Isomethepdrine chloride ; Isometheptene HCl ; Methylamino-methylheptene hydrochloride ; NSC 13066 ; Octin ; UNII-9Z4CJC3O5F ; (1,5-Dimethylhex-4-enyl)methylammonium chloride ; 4-Hexenylamine, N,1,5-trimethyl-, hydrochloride ; 5-Hepten-2-amine, N,6-dimethyl-, hydrochloride (9CI) ; N,1,5-Trimethyl-4-hexenylamine hydrochloride .