Cytoblastin
[CAS# 137109-42-3]

Identification

• Name: Cytoblastin
• Synonyms: 3H-Pyrrolo(4,3,2-Gh)-1,4-Benzodiazonin-3-One, 9-(2,3-Dihydroxy-1-(1H-Indol-3-Yl)Propyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-; Cytoblastin; Nsc654239
• Molecular Formula: C₂₈H₃₄N₄O₄
• Molecular Weight: 490.60
• CAS Registry Number: 137109-42-3
• SMILES: C1=CC(=C2[NH]C=C3CC(CO)NC(C(C(C)C)N(C)C1=C23)=O)C(C(O)CO)C4=C[NH]C5=CC=CC=C45
• InChI: 1S/C28H34N4O4/c1-15(2)27-28(36)31-17(13-33)10-16-11-30-26-19(8-9-22(24(16)26)32(27)3)25(23(35)14-34)20-12-29-21-7-5-4-6-18(20)21/h4-9,11-12,15,17,23,25,27,29-30,33-35H,10,13-14H2,1-3H3,(H,31,36)
• InChIKey: NXVPLRFWXAISBZ-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 875.219°C at 760 mmHg (Cal.)
• Flash point: 483.115°C (Cal.)