5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
Names
[ CAS No. ]:
20315-46-2
[ Name ]:
5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
[Synonym ]:
(5'α)-5'-[(2S)-2-Butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-triox oergotam
beta-ergocryptine
β-Ergocryptine
Chemical & Physical Properties
[ Density]:
1.38g/cm3
[ Boiling Point ]:
861.5ºC at 760 mmHg
[ Molecular Formula ]:
C32H41N5O5
[ Molecular Weight ]:
575.69800
[ Flash Point ]:
474.8ºC
[ Exact Mass ]:
575.31100
[ PSA ]:
121.70000
[ LogP ]:
3.08430
[ Vapour Pressure ]:
1.21E-31mmHg at 25°C
[ Index of Refraction ]:
1.68
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KE1590000
- CHEMICAL NAME :
- beta-Ergocryptine
- CAS REGISTRY NUMBER :
- 20315-46-2
- LAST UPDATED :
- 199109
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C32-H41-N5-O5
- MOLECULAR WEIGHT :
- 575.78
- WISWESSER LINE NOTATION :
- T C6656 1A P GN LM IHT&&&J G1 EVM- DT B565 CO EVN HVNTJ BQ DY1&1 G1Y1&1 -BETA
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 125 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 33,1552,1977
Safety Information
[ RIDADR ]:
UN 1544
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)