Lysergic Acid

HCID 6717CAS 82-58-6

基本情報

標準SMILES: CN1C[C@H](C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey: ZAGRKAFMISFKIO-QMTHXVAHSA-N
分子式: C16H16N2O2
平均分子量: 268.31 g/mol
単同位体質量: 268.12117776

名称と識別子

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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0
極性表面積: 56.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 20
形式電荷: 0
複雑度: 461

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)