Lysergic Acid

HCID 6717CAS 82-58-6

기본 정보

표준 SMILES: CN1C[C@H](C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey: ZAGRKAFMISFKIO-QMTHXVAHSA-N
분자식: C16H16N2O2
평균 분자량: 268.31 g/mol
단동위원소 질량: 268.12117776

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0
극성 표면적: 56.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 20
형식 전하: 0
복잡도: 461

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 2건

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%)