Ergocristine

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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)

Precursor & DownStream

Precursor

DownStream

  • dihydroergocristine

Related Compounds

  • Dihydroergocristine
  • dihydroergocristine
  • Dihydroergocristine
  • Ergocristine ethanesulfonate
  • Dihydroergocristine tartrate
  • ergocristine methanesulfonate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-(1,1-Dimethylethyl)-6-methyl-4-(1-piperazinylmethyl)phenol
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(2-((2-amino-2-oxoethyl)thio)-4-phenylthiazol-5-yl)furan-2-carboxamide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine