WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H333108
CAS#: 639-81-6 (free base),
Description: Ergotaminine is an ergot alkaloid formed by, among others, the fungus Claviceps purpurea on cereal grains and grasses during the growth process. Ergotaminine is a stereoisomer of Ergotamine, which has CAS#113-15-5. Ergotamine is an ergopeptine and part of the ergot family of alkaloids. Ergotamine is used medicinally for treatment of acute migraine attacks (sometimes in combination with caffeine). This product is not available (it is a DEA controlled substance).
Hodoodo Cat#: H333108
Name: Ergotaminine
CAS#: 639-81-6 (free base),
Chemical Formula: C33H35N5O5
Exact Mass: 581.26
Molecular Weight: 581.673
Elemental Analysis: C, 68.14; H, 6.07; N, 12.04; O, 13.75
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Related CAS #: 379-79-3 (tartrate) 639-81-6 (free base) 113-15-5 (Ergotamine)
Synonym: Ergotaminine; Isoergotamine;
IUPAC/Chemical Name: (6aR,9S)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-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
InChi Key: XCGSFFUVFURLIX-BRMNWJGKSA-N
InChi Code: InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1
SMILES Code: O[C@@]12N([C@@H](CC3=CC=CC=C3)C(=O)N4[C@]1(CCC4)[H])C(=O)[C@@](NC(=O)[C@H]5C=C6C=7C=8C(C[C@]6(N(C)C5)[H])=CNC8C=CC7)(C)O2
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 581.67 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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