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

Modify Date: 2025-08-25 15:29:25

5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione structure	Common Name	5'alpha(S)-sec-butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
	CAS Number	20315-46-2	Molecular Weight	575.69800
	Density	1.38g/cm3	Boiling Point	861.5ºC at 760 mmHg
	Molecular Formula	C₃₂H₄₁N₅O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	474.8ºC

Name	β-ergocryptine
Synonym	More Synonyms

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

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

RIDADR	UN 1544
Packaging Group	III
Hazard Class	6.1(b)

(5'α)-5'-[(2S)-2-Butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-triox oergotam

beta-ergocryptine

β-Ergocryptine

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