alpha-ergocryptine

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Names

[ CAS No. ]:
511-09-1

[ Name ]:
alpha-ergocryptine

[Synonym ]:
(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

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

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)

Precursor & DownStream

Precursor

DownStream

  • Dihydro α-Ergocryptine
  • Bromocriptine

Related Compounds

  • dihydro-alpha-ergocryptine
  • dihydro-alpha-ergocryptine mesylate
  • alpha-anilinobenzylidene-methyl-1-phenyl-2-pyrazolin-5-one
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  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine