Erlotinib Hydrochloride

HCID 176871CAS 183319-69-9

기본 정보

표준 SMILES: C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl
InChIKey: GTTBEUCJPZQMDZ-UHFFFAOYSA-N
분자식: C22H24ClN3O4
평균 분자량: 429.9 g/mol
단동위원소 질량: 429.14553393

개요

Erlotinib Hydrochloride is the hydrochloride salt of a quinazoline derivative with antineoplastic properties. Competing with adenosine triphosphate, erlotinib reversibly binds to the intracellular catalytic domain of epidermal growth factor receptor (EGFR) tyrosine kinase, thereby reversibly inhibiting EGFR phosphorylation and blocking the signal transduction events and tumorigenic effects associated with EGFR activation.

이름 및 식별자

우선 이름: Erlotinib Hydrochloride
IUPAC: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride

이름 및 동의어

Erlotinib hydrochloride183319-69-9erlotinib HClTarcevaOSI-774OSI 774HCl, ErlotinibCP 35877411C erlotinibCP-358,774-01DA87705X9KHydrochloride, Erlotinib

이름 더 보기

CP-3584-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochlorideCP-358774CHEBI:53509DTXSID10171412CP-358774-01NSC 718781NSC718781

데이터베이스 식별자

CAS: 183319-69-9
PubChem CID: 176871
DTXSID: DTXSID10171412
ChEMBL: CHEMBL1079742
UNII: DA87705X9K
EC Number: 620-491-0

물성

구조 계산 물성

극성 표면적: 74.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 11
무거운 원자 수: 30
형식 전하: 0
복잡도: 525

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.