5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione

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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)

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 4-{4-Methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl}morpholine
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • Methyl 2-(azetidin-3-yl)-2-methoxyacetate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 2-(6-Bromo-2,3-dichlorophenyl)-1,3-dioxolane