CAS 511-08-0|Ergocristine

Introduction：Basic information about CAS 511-08-0|Ergocristine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Synonyms

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	/	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
InChIKey	HEFIYUQVAZFDEE-MKTPKCENSA-N
SMILES	CC(C)C1(NC(=O)C2C=C3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O

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)

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

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