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379-79-3

379-79-3 structural image
Product Name: ERGOTAMINE TARTRATE
Formula: C70H76N10O16
Synonyms: Ergotamine D-tartrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Powder or liquid forms available as drugs. Used in obstetrics and in the treatment of migraine headaches. (EPA, 1998)
Melting Point 397 °F decomposes (EPA, 1998)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H361:Reproductive toxicity
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 1313.4 g/mol
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 11
Exact Mass 1312.54407637 g/mol
Monoisotopic Mass 1312.54407637 g/mol
Topological Polar Surface Area 352 Ų
Heavy Atom Count 96
Formal Charge 0
Complexity 1350
Isotope Atom Count 0
Defined Atom Stereocenter Count 14
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Powder or liquid forms available as drugs. Used in obstetrics and in the treatment of migraine headaches. (EPA, 1998)