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Basic information
- CAS
183319-69-9- Standard SMILES
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl- InChIKey
GTTBEUCJPZQMDZ-UHFFFAOYSA-N- Molecular formula
- C22H24ClN3O4
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.14553393
Overview
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.
Names & identifiers
- Preferred name
- Erlotinib Hydrochloride
- IUPAC
- N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
Names & synonyms
Erlotinib hydrochloride183319-69-9erlotinib HClTarcevaOSI-774OSI 774HCl, ErlotinibCP 35877411C erlotinibCP-358,774-01DA87705X9KHydrochloride, Erlotinib
Show more names
CP-3584-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochlorideCP-358774CHEBI:53509DTXSID10171412CP-358774-01NSC 718781NSC718781
Database identifiers
- CAS
183319-69-9- PubChem CID
- 176871
- DTXSID
DTXSID10171412- ChEMBL
CHEMBL1079742- UNII
- DA87705X9K
- EC Number
- 620-491-0
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 525
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (91.7%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Erlotinib hydrochloride
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
ERLOTINIB HYDROCHLORIDE
Kinase Inhibitor [EPC]; Protein Kinase Inhibitors [MoA]
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Protein kinase inhibitors that inhibit TYROSINE PROTEIN KINASES.
Related reactions
58 records
Compound notes
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