Ergotamine tartrate

Base Information

• Chemical Name: Ergotamine tartrate
• CAS No.: 379-79-3
• Deprecated CAS: 98260-31-2
• Molecular Formula: C70H76N10O16
• Molecular Weight: 1313.41
• Hs Code.: 29396200
• European Community (EC) Number: 206-835-9
• UN Number: 2811,1544
• UNII: MRU5XH3B48
• DSSTox Substance ID: DTXSID3025253
• Wikipedia: Ergotamine_tartrate
• Wikidata: Q27284199
• NCI Thesaurus Code: C47517
• RXCUI: 42676
• ChEMBL ID: CHEMBL2131781
• Mol file: 379-79-3.mol

Synonyms:Ergotamine, bitartrate;Ergotaminum [INN-Latin];Cornutamin;Secupan;Ergotaman-3,6,18-trione, 12-hydroxy-2-methyl-5- (phenylmethyl)-, (5.alpha.)-, [R-(R*, R*)]-2,3-dihydroxybutanedioate (2:1) (salt);Ergomar;Rigetamin;Exmigra;Ergomar (TN);Gynergen;Ergotaman-3,6,18-trione, 12-hydroxy-2-methyl-5-(phenylmethyl)-, (5alpha)-;Lingraine;Ergotamine D-tartrate;Ergam;Ergotamina [INN-Spanish];Ergotamine, tartrate (2:1);

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Chemical Property of Ergotamine tartrate

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: ~195 °C (dec.)(lit.)
• Boiling Point: 914.5 °C at 760 mmHg
• Flash Point: 506.9 °C
• Storage Temp.: 2-8°C
• Water Solubility.: <0.1 g/100 mL at 20 C
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 11
• Exact Mass: 1312.54407637
• Heavy Atom Count: 96
• Complexity: 1350
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-62-63
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• Description: Ergotamine and ergometrine belong to two kinds of ergot alkaloids. Ergot (Claviceps purpurea, 麦角) is the sclerotium of ergot fungus that grows in the rye and related cereal and forage plants. The ergot is grown in the northeast and north China and Xinjiang, Jiangsu, Zhejiang, Sichuan, and other places. At present, the method of growth of ergot is inoculation cultivation.Traditional Chinese medicine believes that ergot is tasteless, tepid, toxic, liver meridian, and kidney meridian. The traditional usage of ergot is oral administration of extractum, 2–4 ml each time, daily amount of 6–8 ml. Its dosage forms also contain infusion, pills, injection, etc. Pharmacology of Chinese Medicine records ergot can be used for uterine contraction, uterine bleeding, and postpartum hemorrhage after delivery, incomplete recovery of uterus, retrogression, etc. The Plateau Chinese herbal medicine treatment manual records that ergot can cure migraine.
• Physical properties: Appearance: White or slightly yellow fine crystalline powder with slight hygroscopicity. Solubility: Slightly soluble in water and ethanol, insoluble in ether and chloroform.
• Uses: Antimigraine. diuretic, inhibits Na/K/2Cl carrier system
• Indications: Ergometrine maleate is used in the form of extract tumor injection. As a uterotonic, ergometrine maleate is mainly used for the prevention and treatment of uterine bleeding caused by weak or poor uterine contraction after delivery or abortion, as well as the incomplete recovery of postpartum uterus to accelerate the recovery of uterus. Ergotamine tartrate is used for the treatment of migraine in the form of tablet and parenteral solution. It also can be used for other neurogenic headache as well.
• Clinical Use: Ergonovine maleate is mainly used for the prevention and treatment of the weak uterine contraction or poor contraction caused by uterine bleeding after delivery or abortion. It is also used for incomplete recovery of postpartum uterus to accelerate the recovery of the uterus.Ergotamine tartrate is mainly used for the treatment of migraine by relieving the symptoms. However, it is only suitable for short-term usage of headache attacks, normally does not prevent migraine. The combination of ergotamine tartrate and caffeine is better than single oral administration with the mild side effects. It also can be used for other neurogenic headaches.