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511-09-1

511-09-1 structure

511-09-1 structure

Name: alpha-ergocryptine
Chemical Name: α-ergocryptine
CAS Number: 511-09-1
Molecular Formula: C₃₂H₄₁N₅O₅
Molecular Weight: 575.698
Create Date: 2018-02-09 08:00:00
Modify Date: 2026-10-16 11:53:17

Name	α-ergocryptine
Synonyms	Cilnidipine Impurity 16 Ergocryptine 12'-hydroxy-5' Bromocriptine mesilate Impurity B Bromocryptine Impurity B (α-Ergocryptine) A-ERGOCRYPTINE ERGOT ALKALOID (6,9R)-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-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-cboxamide (α-ergocryptine) (R)-9,10-Dihydro-&beta 12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione alpha-ergokryptine Bromocriptine Impurity B (6,9R)-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-2H-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-cboxamide (6aR,9R)-N-[(2R,5S,10aS,10bS)-10b-Hydroxy-5-isobutyl-2-isopropyl-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 Ergocryptine Ergokryptine ergokryptine ergocryptine (5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione ALPHA-ERGOCRYPTINE 12μ-Hydroxy-2μ-(1-methylethyl)-5μ-α-(2-methylpropyl)ergotaman-3μ,6μ,18-trione 12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione (5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman A-ergocryptine α-Ergocryptine a-Ergocryptine Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'α) Ergocrypyine ErgotaMan-3',6',18-trione,12'-hydroxy-2'-(1-Methylethyl)-5'-(2-Methylpropyl)-, (5'a) Ergocriptine 12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione Bromocriptine Impurity 2（Bromocriptine Mesylate Impurity B) 12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione 12'-Hydroxy-2'-isopropyl-5'α-isobutylergotaman-3',6',18-trione 12’-hydroxy-2’-(1-methylethyl)-5’-alpha-(2-methylpropyl)ergotaman-3’,6’,18-t ALPHA-ERGOCRYPTINE //BP (5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman 4-25-00-00964 9,10-Dihydro-&beta

Density	1.4±0.1 g/cm3
Boiling Point	861.7±65.0 °C at 760 mmHg
Melting Point	152-154ºC
Molecular Formula	C₃₂H₄₁N₅O₅
Molecular Weight	575.698
Flash Point	475.0±34.3 °C
Exact Mass	575.310791
PSA	118.21000
LogP	4.08
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.681

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KE1400000

CHEMICAL NAME :: Ergocryptine

CAS REGISTRY NUMBER :: 511-09-1

BEILSTEIN REFERENCE NO. :: 0078810

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C32-H41-N5-O5

MOLECULAR WEIGHT :: 575.78

WISWESSER LINE NOTATION :: T C6656 1A P GN LM CUTT&&J G1 EVM- DT B565 CO EVN HVNTJ BQ DY1&1 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 :: 950 ug/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3752814 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 2 mg/kg

SEX/DURATION :: female 4 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

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: 56,691,1979

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 1800 ug/kg

SEX/DURATION :: lactating female 3 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Maternal Effects - postpartum

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3752814

Hazard Codes	Xn
Risk Phrases	62
RIDADR	UN 1544 6.1/PG 3
WGK Germany	3
Packaging Group	III
Hazard Class	6.1(b)

Precursor 0
DownStream 2
25447-66-9 25614-03-3

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