Ergocristine
Names
[ CAS No. ]:
511-08-0
[ Name ]:
Ergocristine
[Synonym ]:
Ergotaman, 12'-hydroxy-2'-(1-methylethyl)-3',6',18-trioxo-5'-(phenylmethyl)-, (5'α)-
Ergotaman-3',6',18-trione, 12'-hydroxy-2'- (1-methylethyl)-5'-(phenylmethyl)-, (5'α)-
ergocrystine
(5'α)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman
(5'α)-5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α)-
5'-benzyl-12'-hydroxy-2'-isopropyl-ergotamane-18,3',6'-trione
Ergoline-8-carboximidic acid, 9,10-didehydro-6-methyl-N-[(2R,5S,10aS,10bS)-octahydro-10b-hydroxy-2-(1-methylethyl)-3,6-dioxo-5-(phenylmethyl)-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-, (8β)-
(6aR,9R)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-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'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
(8β)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-2-isopropyl-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
Ergocristine
Chemical & Physical Properties
[ Density]:
1.5±0.1 g/cm3
[ Boiling Point ]:
886.0±75.0 °C at 760 mmHg
[ Melting Point ]:
155-157ºC(lit.)
[ Molecular Formula ]:
C35H39N5O5
[ Molecular Weight ]:
609.715
[ Flash Point ]:
489.7±37.1 °C
[ Exact Mass ]:
609.295105
[ PSA ]:
118.21000
[ LogP ]:
5.41
[ Vapour Pressure ]:
0.0±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.743
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KE1180000
- CHEMICAL NAME :
- Ergocristine
- CAS REGISTRY NUMBER :
- 511-08-0
- BEILSTEIN REFERENCE NO. :
- 0079046
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C35-H39-N5-O5
- MOLECULAR WEIGHT :
- 609.79
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2150 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 8,169,1988
Safety Information
[ Risk Phrases ]:
23/24/25
[ Safety Phrases ]:
22-36/37/39-45
[ RIDADR ]:
UN 1544
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1(b)