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Erlotinib hydro-chloride: an anti-cancer agent.

ABSTRACT: In the cation of the title compound, C(22)H(24)N(3)O(4) (+)·Cl(-), an active ingredient of the anti-cancer drug also known as Tarceva, the quinazoline ring system is planar within 0.044?(3)?Å. The dihedral angle formed by the mean planes of the two six-membered quinazoline rings is 3.2?(1)°. Both N-bound H atoms participate in N-H?Cl bonds, which link the ions into infinite chains running along the b axis. C-H?O inter-actions involving neighboring cations provide additional stabilization of these aggregates.

SUBMITTER: Selvanayagam S

PROVIDER: S-EPMC2961266 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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Erlotinib hydro-chloride: an anti-cancer agent.

Selvanayagam S S Sridhar B B Ravikumar K K

Acta crystallographica. Section E, Structure reports online 20080430 Pt 5

In the cation of the title compound, C(22)H(24)N(3)O(4) (+)·Cl(-), an active ingredient of the anti-cancer drug also known as Tarceva, the quinazoline ring system is planar within 0.044 (3) Å. The dihedral angle formed by the mean planes of the two six-membered quinazoline rings is 3.2 (1)°. Both N-bound H atoms participate in N-H⋯Cl bonds, which link the ions into infinite chains running along the b axis. C-H⋯O inter-actions involving neighboring cations provide additional stabilization of thes ...[more]

PMID: 21202412

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