CAS 511-09-1|alpha-ergocryptine

Introduction：Basic information about CAS 511-09-1|alpha-ergocryptine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Synonyms

Common Name	alpha-ergocryptine
CAS Number	511-09-1	Molecular Weight	575.698
Density	1.4±0.1 g/cm3	Boiling Point	861.7±65.0 °C at 760 mmHg
Molecular Formula	C₃₂H₄₁N₅O₅	Melting Point	152-154ºC
MSDS	/	Flash Point	475.0±34.3 °C

Names

Name	α-ergocryptine
Synonym	More Synonyms

Chemical & Physical Properties

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
InChIKey	YDOTUXAWKBPQJW-NSLWYYNWSA-N
SMILES	CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12

Toxicological Information

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

Safety Information

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

Synonyms

(5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione

Ergocryptine

12'-hydroxy-5'

Ergotaman, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxo-, (5'α)-

alpha-ergocryptine

(5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman

α-Ergocryptine

a-Ergocryptine

12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione

Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'α)-

Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'α,10α)-

12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione

(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

(5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman

Ergotaman-3',6',18-trione, 12'-hydroxy-2'- (1-methylethyl)-5'-(2-methylpropyl)-, (5'α)-

4-25-00-00964

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