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

Modify Date: 2024-01-02 09:20:02

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

 Names

Name β-ergocryptine
Synonym More Synonyms

 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)

 Synonyms

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