(3aS)-3a-Hydroxy-7-nitro-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
[CAS# 856925-75-2]

Identification

• Name: (3aS)-3a-Hydroxy-7-nitro-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
• Synonyms: "(3aS)-1,2,3,3a-tetrahydro-3a-hydroxy-7-nitro-1-phenyl-4H-pyrrolo[2,3-b]quinolin-4-one"; (S)-nitro-Blebbistatin; S-(-)-7-Desmethyl-8-nitro Blebbistatin
• Molecular Formula: C₁₇H₁₃N₃O₄
• Molecular Weight: 323.30
• CAS Registry Number: 856925-75-2
• SMILES: [O-][N+](=O)c4ccc2c(\N=C3\N(c1ccccc1)CC[C@@]3(O)C2=O)c4
• InChI: 1S/C17H13N3O4/c21-15-13-7-6-12(20(23)24)10-14(13)18-16-17(15,22)8-9-19(16)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2/t17-/m1/s1
• InChIKey: VIMYHNYWFMRDKQ-QGZVFWFLSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 570.661°C at 760 mmHg (Cal.)
• Flash point: 298.925°C (Cal.)
• Refractive index: 1.737 (Cal.)