5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
Names
[ CAS No. ]:
26685-57-4
[ Name ]:
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
Chemical & Physical Properties
[ Density]:
1.07g/cm3
[ Boiling Point ]:
517.8ºC at 760mmHg
[ Molecular Formula ]:
C26H37NO2
[ Molecular Weight ]:
395.57700
[ Flash Point ]:
267ºC
[ Exact Mass ]:
395.28200
[ PSA ]:
32.70000
[ LogP ]:
5.91350
[ Vapour Pressure ]:
2.42E-11mmHg at 25°C
[ Index of Refraction ]:
1.565
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DJ3170000
- CHEMICAL NAME :
- 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl )- 10-hydroxy-2-(2-propynyl)-
- CAS REGISTRY NUMBER :
- 26685-57-4
- LAST UPDATED :
- 199107
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C26-H37-N-O2
- MOLECULAR WEIGHT :
- 395.64
- WISWESSER LINE NOTATION :
- T B666 DN IO HHT&&J D2UU1 H1 H1 LY1&Y5&1 NQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,454,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,454,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - irritability
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,445,1976