alpha-ergocryptine
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)