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Chemical structure of Olanzapine

GC12495

Olanzapine

Also known as 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1·9-25 nM), and adrenergic α1 receptor (Ki=19 nM)

ChemicalCAS132539-06-1MW312.43FormulaC17H20N4S
CAS number
132539-06-1
Molecular weight
312.43
Formula
C17H20N4S
Solubility
≥ 15·6mg/mL in DMSO
InChIKey
KVWDHTXUZHCGIO-UHFFFAOYSA-N
Catalogue number
GC12495
Brand
GLPBIO
Computed properties PubChem CID 135398745 · XLogP 2.9 · TPSA 59.1 Ų · H-bond donors 1
XLogP
2.9
TPSA
59.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22

SMILES CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

Computed descriptors from PubChem (CID 135398745), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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