(+/-)-Blebbistatin

The (±)-Blebbistatin, with the CAS registry number 674289-55-5, is also known as 4H-Pyrrolo[2,3-b]quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-. It belongs to the product categories of All Inhibitors; Chiral Reagents; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Caspases/Apoptosis. This chemical's molecular formula is C₁₈H₁₆N₂O₂ and formula weight is 292.33. What's more, its systematic name is 3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one. Its storage temperature is −20°C.

Physical properties of (±)-Blebbistatin are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.019; (4) ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.365; (6)ACD/BCF (pH 7.4): 3.968; (7)ACD/KOC (pH 5.5): 79.102; (8)ACD/KOC (pH 7.4): 93.271; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.9 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 84.366 cm³; (15)Molar Volume: 222.866 cm³; (16)Surface Tension: 53.495 dyne/cm ; (17)Density: 1.312 g/cm³; (18)Flash Point: 260.586 °C; (19)Enthalpy of Vaporization: 81.85 kJ/mol; (20)Boiling Point: 507.267 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O
(2)InChI: InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3
(3)InChIKey: LZAXPYOBKSJSEX-UHFFFAOYSA-N