Lysergic Acid

HCID 6717CAS 82-58-6

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Grundinformationen

Standard-SMILES: CN1C[C@H](C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey: ZAGRKAFMISFKIO-QMTHXVAHSA-N
Summenformel: C16H16N2O2
Durchschnittliche Molmasse: 268,31 g/mol
Monoisotopische Masse: 268,12117776

Namen und Bezeichner

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

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 56,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 461

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)