Lysergic Acid

HCID 6717

Notes Reactions

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Basic information

CAS: 82-58-6
Standard SMILES: CN1C[C@H](C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey: ZAGRKAFMISFKIO-QMTHXVAHSA-N
Molecular formula: C16H16N2O2
Average molar mass: 268.31 g/mol
Monoisotopic mass: 268.12117776

Names & identifiers

Preferred name: Lysergic Acid
IUPAC: (6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid

Names & synonyms

LYSERGIC ACID82-58-6ITO20DAO7J(+)-Lysergic acidCHEBI:6604DTXSID60904515(8beta)-9,10-didehydro-6-methylergoline-8-carboxylic acidErgoline-8-carboxylic acid, 9,10-didehydro-6-methyl-, (8beta)-Acid, Lysergic(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxylic acid(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acidRefChem:154746

Show more names

7-Methyl-4,6,6a,7,8,9-hexahydroindolo(4,3-fg)quinoline-9-carboxylic acid(9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxylic acidDTXCID901333665(6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydroindolo(4,3-fg)quinolin-7-ium-9-carboxylate201-431-9Ergoline AcidD-Lysergic acid(+)-Lysergic Acid Hydrate

Database identifiers

CAS: 82-58-6
PubChem CID: 6717
DTXSID: DTXSID60904515
ChEBI: CHEBI:6604
UNII: ITO20DAO7J
EC Number: 201-431-9
Nikkaji: J4.614K

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 56.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 461

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H301 (82.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (82.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (82.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

DEA schedule III controlled substance

Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26246；Status: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21805

Hazard Classes and CategoriesAcute Tox. 3 (82.6%)；Acute Tox. 3 (82.6%)；Acute Tox. 3 (82.6%)