Substance
- Substance Name: erlotinib hydrochloride
- Formula: C22H24ClN3O4
- Molecular Weight: 429.9 g/mol
- Identifiers:
- casrn: 183319-69-9
- pubchemId: 176871
- iupacname: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
- 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
- csmiles: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
- ismiles: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
- wikidataId: Q27124083
- chemspiderId: 154045
- dsstoxcmpId: DTXCID7093903
- chemblId: CHEMBL1079742
- ecnumber: 620-491-0
erlotinib hydrochloride
Systems and Datasets
- erlotinib hydrochloride (Datasets: 4)
- Dataset 1 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 2 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 3 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 4 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- methanol + erlotinib hydrochloride (Datasets: 2)
- Dataset 5 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 6 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- acetone + erlotinib hydrochloride (Datasets: 4)
- Dataset 11 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 12 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 3 in paper 10.1021/je500482k (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- Dataset 4 in paper 10.1021/je500482k (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- methyl ethyl ketone + erlotinib hydrochloride (Datasets: 2)
- Dataset 13 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 14 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- methyl isobutyl ketone + erlotinib hydrochloride (Datasets: 2)
- Dataset 15 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 16 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- ethanol + N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride (Datasets: 2)
- Dataset 7 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 8 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- propan-2-ol + N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride (Datasets: 4)
- Dataset 9 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 10 in paper 10.1021/acs.jced.6b00796 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 1 in paper 10.1021/je500482k (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- Dataset 2 in paper 10.1021/je500482k (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)