564-36-3

564-36-3 structure

564-36-3 structure

Name: Ergocornine
Chemical Name: ergocornine
CAS Number: 564-36-3
Molecular Formula: C₃₁H₃₉N₅O₅
Molecular Weight: 561.672
Create Date: 2018-07-20 14:42:55
Modify Date: 2024-01-02 14:13:56

Name	ergocornine
Synonyms	Ergotaman, 12'-hydroxy-2',5'-bis(1-methylethyl)-3',6',18-trioxo-, (5'α)- Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'α,10α)- Ergocornine (5'α)-12'-hydroxy-3',6',18-trioxo-2',5'-di(propan-2-yl)ergotaman (5'a)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione Ergoline-8-carboximidic acid, 9,10-didehydro-6-methyl-N-[(2R,5S,10aS,10bS)-octahydro-10b-hydroxy-2,5-bis(1-methylethyl)-3,6-dioxo-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-, (8β)- Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'α)- (6aR,9R)-N-[(2R,5S,10aS,10bS)-10b-Hydroxy-2,5-diisopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (5' (5'α)-12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman (8β)-N-[(2R,5S,10aS,10bS)-10b-Hydroxy-2,5-diisopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methyl-9,10-didehydroergoline-8-carboximidic acid

Density	1.4±0.1 g/cm3
Boiling Point	858.3±65.0 °C at 760 mmHg
Molecular Formula	C₃₁H₃₉N₅O₅
Molecular Weight	561.672
Flash Point	472.9±34.3 °C
Exact Mass	561.295105
PSA	118.21000
LogP	3.55
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.689

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KE7630000

CHEMICAL NAME :: Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-

CAS REGISTRY NUMBER :: 564-36-3

BEILSTEIN REFERENCE NO. :: 0078784

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C31-H39-N5-O5

MOLECULAR WEIGHT :: 561.75

WISWESSER LINE NOTATION :: T C6656 1A P GN LM CUTT&&J G1 EVM- DT B565 CO EVN HVNTJ BQ DY1&1 GY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1170 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,304,1948 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 5 mg/kg

SEX/DURATION :: female 5 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

REFERENCE :: RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 7,701,1974

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 50 mg/kg

SEX/DURATION :: female 10 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

REFERENCE :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 11,459,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 10 mg/kg

SEX/DURATION :: lactating female 7 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Maternal Effects - postpartum

REFERENCE :: BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 1,367,1969

RIDADR	UN 1544 6.1/PG 3
WGK Germany	3
RTECS	KE7630000
Packaging Group	III
Hazard Class	6.1(b)