ergoclavine
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Basic information
- CAS
8052-85-5- Standard SMILES
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)C(=O)N12.CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)C(=O)N12- InChIKey
LSFUOCCIMVIZMK-IZOYEBDLSA-N- Molecular formula
- C60H74N10O10
- Average molar mass
- 1,095.29 g/mol
Names & identifiers
- Preferred name
- ergoclavine
- English name
- ergoclavine
- Molecular formula
- C60H74N10O10
- Molecular weight
- 1095.29
Names & synonyms
ergoclavineErgotaman-3′,6′,18-trione, 12′-hydroxy-2′-methyl-5′-(2-methylpropyl)-, (5′α)-, mixt. with (5′α,8α)-12′-hydroxy-2′-methyl-5′-(2-methylpropyl)ergotaman-3′,6′,18-trione
Database identifiers
- CAS
8052-85-5- PubChem CID
- 165673
Properties
Physicochemical properties
- Melting point
- 170 · 170-171 °C(Solv: ethanol (64-17-5)(90%))
- RIDADR
- 1544 · 1544
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1544
- hazard_class
- 6.1(b)
- packing_group
- III
Suppliers
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Related reactions
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Compound notes
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