[4-(4-Methyl-1-Piperazinyl)-10H-Thieno[2,3-b][1,5]Benzodiazepin-2-Yl]Methanol
[CAS# 174756-45-7]

Identification

• Name: [4-(4-Methyl-1-Piperazinyl)-10H-Thieno[2,3-b][1,5]Benzodiazepin-2-Yl]Methanol
• Synonyms: 2-Hydroxy methyl olanzapine; [10-(4-Methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulen-2-yl]-methanol
• Molecular Formula: C₁₇H₂₀N₄OS
• Molecular Weight: 328.43
• CAS Registry Number: 174756-45-7
• SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=C2C=C(S4)CO
• InChI: 1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
• InChIKey: FPDIERBPQFAFSI-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 530.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 274.8±32.9°C (Cal.)
• Refractive index: 1.727 (Cal.)

References

• (1): Sean Ekins, Konstantin V. Balakin, Nikolay Savchuk, and Yan Ivanenkov. Insights for Human Ether-a-Go-Go-Related Gene Potassium Channel Inhibition Using Recursive Partitioning and Kohonen and Sammon Mapping Techniques, J. Med. Chem. 2006, 49(17), 5059-5071.