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561-94-4

561-94-4 structure

561-94-4 structure

Name: Ergosinine
Chemical Name: ergosine
CAS Number: 561-94-4
Molecular Formula: C₃₀H₃₇N₅O₅
Molecular Weight: 547.645
Create Date: 2018-07-19 16:48:46
Modify Date: 2024-01-11 18:31:45

Name	ergosine
Synonyms	12'-hydroxy-5'-isobutyl-2'-methyl-ergotamane-18,3',6'-trione Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'α)- Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'- (2-methylpropyl)-, (5'α)- Ergoclavine (5'α)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman Ergotaman, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxo-, (5'α)- α-Ergosine (5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione Ergosinine Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)- Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'α,10α)- 12'-Hydroxy-2'-methyl-5'a-(2-methylpropyl)ergotaman-3',6',18-trione (5'α)-12'-Hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman

Density	1.4±0.1 g/cm3
Boiling Point	861.4±65.0 °C at 760 mmHg
Molecular Formula	C₃₀H₃₇N₅O₅
Molecular Weight	547.645
Flash Point	474.7±34.3 °C
Exact Mass	547.279480
PSA	118.21000
LogP	3.20
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.700

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KE7200000

CHEMICAL NAME :: Ergosine

CAS REGISTRY NUMBER :: 561-94-4

BEILSTEIN REFERENCE NO. :: 0102152

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C30-H37-N5-O5

MOLECULAR WEIGHT :: 547.72

WISWESSER LINE NOTATION :: T C6656 1A P GN LM IHT&&&J G1 EVM- DT B565 CO EVN HVNTJ BQ D1 G1Y1&1

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 :: 100 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)

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