Identiteet

Afatinib Dimaleate

Pole loetletud · C32H33ClFN5O11

01Identiteet

Lazychem ID	LC-71145
CAS RN	Pole loetletud
PubChem CID	15606394
Molecular formula	C32H33ClFN5O11
Molecular weight	718.1 g/mol
IUPAC name	bis((Z)-but-2-enedioic acid);(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
InChIKey	USNRYVNRPYXCSP-JUGPPOIOSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Afatinib Dimaleate — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	4
Secondary amines	1
Tertiary amines	1

SMILES	CN(C/C=C/C(=O)NC1=C(C=C2N=CN=C(C2=C1)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI	Pole loetletud

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.