Lysergic Acid
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CAS Number 82-58-6
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Catalog Number io-406925
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Molecular Weight 268.3100
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SMILES
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Lysergic acid is an ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. It derives from a hydride of a 6-methylergoline.
| 1 | LYSERGIC ACID |
| 2 | ITO20DAO7J |
| 3 | (+)-Lysergic acid |
| 4 | CHEBI:6604 |
| 5 | DTXSID60904515 |
| Molecular Formula | C16H16N2O2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 268.3100 |
| InChIKey | ZAGRKAFMISFKIO-QMTHXVAHSA-N |
| InChI | InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14-/m1/s1 |
| XLogP | 0.0000 |
| ExactMass | 268.1212 |
| MonoisotopicMass | 268.1212 |
| TPSA | 56.3000 |
| Complexity | 461.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 7344 |
| PatentFamilyCount | 2166 |
| LiteratureCount | 1230 |
