Ergocristine

Modify Date: 2024-01-07 22:51:57

Ergocristine Structure
Ergocristine structure
Common Name Ergocristine
CAS Number 511-08-0 Molecular Weight 609.715
Density 1.5±0.1 g/cm3 Boiling Point 886.0±75.0 °C at 760 mmHg
Molecular Formula C35H39N5O5 Melting Point 155-157ºC(lit.)
MSDS N/A Flash Point 489.7±37.1 °C

 Names

Name ergocristine
Synonym More Synonyms

 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  0

DownStream  1

 Synonyms

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