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Structure
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| Relationships |
Total Number of functionally related protein(s) :
783
Total Number of Articles : 3067
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| PubChem |
176871
|
| Molecular Formula |
C22H24ClN3O4 |
| SMILES |
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl |
| 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 |
| synonyms |
- Erlotinib hydrochloride
- 183319-69-9
- erlotinib HCl
- Tarceva
- N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride
- OSI-774
- OSI 774
- Erlotinib (Hydrochloride)
- CP 358774
- Erlotinib HCl (OSI-744)
- UNII-DA87705X9K
- Erlotinib 13C6 HCl
- Tarceva (Erlotinib Hydrochloride)
- DA87705X9K
- CP-358
- CP-358,774-01
- CP-358774
- 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, hydrochloride (1:1)
- CHEBI:53509
- DTXSID10171412
- Erlotinib Hydrochloride (Tarceva)
- CP-358774-01
- 4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride
- MFCD07781272
- NSC718781
- 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, monohydrochloride
- NSC-718781
- 6,7-bis(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hydrochloride
- 183319-69-9 (HCl)
- N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
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| Properties |
| Property |
Value |
| MW |
429.9 g/mol |
| HBD |
2 |
| HBA |
7 |
| Rotatable Bond Count |
11 |
| Exact Mass |
429.1455339 g/mol |
| Monoisotopic Mass |
429.1455339 g/mol |
| Heavy Atom Count |
30 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
2 |
| Complexity |
525 |
| xlogp |
None |
| Topological Polar Surface Area |
74.7 |
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