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Ergotoxine

Ergotoxine structure

CAS No:
8006-25-5
Chemical Name:
Ergotoxine
Synonyms:
Ergotoxine;Indolo[4,3-fg]quinoline,ergotoxine deriv.;8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotoxine deriv.;Ecboline;Ergotoxin;854220-51-2

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Ergotoxine Basic Attributes

Molecular Weight：

1747.08

Exact Mass：

519.24800

UNII：

13GR36R05G

DSSTox ID：

DTXSID90230056

Characteristics

PSA：

121.70000

XLogP3：

1.66960

Appearance：

lyophilized powder

Density：

1.47g/cm3

Melting Point：

~190° (dec) (solvent-free base)

Boiling Point：

865.2ºC at 760 mmHg

Flash Point：

477.1ºC

Refractive Index：

1.722

Water Solubility：

aqueous buffer: soluble

Storage Conditions：

−20°C

Toxicity：

LD in mice (mg/kg): 0.107 s.c.; 0.032 i.v. (Kreitmair)

Specific rotation：

D20 -197° (chloroform)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

1544

wgk germany：

Drug Information

MeSH Entry Terms：

ergotoxin

Computed Properties

Molecular Weight:519.6
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:519.24816917
Monoisotopic Mass:519.24816917
Topological Polar Surface Area:118
Heavy Atom Count:38
Complexity:1100
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ergotoxine methanesulfonate

39435-95-5

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Guide of Ergotoxine

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

Ergotoxine

SDS

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