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> Main
CHEBI:53509 - erlotinib hydrochloride
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ChEBI Name
erlotinib hydrochloride
ChEBI ID
CHEBI:53509
Definition
The hydrochloride salt of erlotinib.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H24ClN3O4
Net Charge
0
Average Mass
429.89700
Monoisotopic Mass
429.14553
InChI
InChI=1S/C22H23N3O4.ClH/c1-
4-
16-
6-
5-
7-
17(12-
16)
25-
22-
18-
13-
20(28-
10-
8-
26-
2)
21(29-
11-
9-
27-
3)
14-
19(18)
23-
15-
24-
22;/h1,5-
7,12-
15H,8-
11H2,2-
3H3,(H,23,24,25)
;1H
InChIKey
GTTBEUCJPZQMDZ-UHFFFAOYSA-N
SMILES
[H+].[Cl-].COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Roles Classification
Biological Role
(s):
protein kinase inhibitor
An EC 2.7.* (
P
-containing group transferase) inhibitor that interferes with the action of protein kinases.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
erlotinib hydrochloride (
CHEBI:53509
)
has part
erlotinib (
CHEBI:114785
)
erlotinib hydrochloride (
CHEBI:53509
)
has role
antineoplastic agent (
CHEBI:35610
)
erlotinib hydrochloride (
CHEBI:53509
)
has role
protein kinase inhibitor (
CHEBI:37699
)
erlotinib hydrochloride (
CHEBI:53509
)
is a
hydrochloride (
CHEBI:36807
)
erlotinib hydrochloride (
CHEBI:53509
)
is a
terminal acetylenic compound (
CHEBI:73477
)
IUPAC Name
N
-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
Synonyms
Sources
4-(m-ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride
ChemIDplus
CP 358774
ChemIDplus
CP-358,774
ChEBI
erlotinib HCl
ChemIDplus
erlotinib hydrochloride
DrugCentral
N
-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine monohydrochloride
ChEBI
NSC 718781
ChEBI
OSI-774
ChemIDplus
Brand Name
Source
Tarceva
ChemIDplus
Manual Xrefs
Databases
D04023
KEGG DRUG
DBSALT000064
DrugBank
View more database links
Registry Numbers
Types
Sources
183319-69-9
CAS Registry Number
ChemIDplus
183319-69-9
CAS Registry Number
KEGG DRUG
8813963
Beilstein Registry Number
Beilstein
Citation
Type
Source
26323931
PubMed citation
Europe PMC
Last Modified
28 September 2018