7-N-(4-Hydroxyphenyl)Mitomycin C
[CAS# 70343-57-6]

Identification

• Name: 7-N-(4-Hydroxyphenyl)Mitomycin C
• Synonyms: 7-N-(P-Hydroxyphenyl)-Mitomycin C; Antibiotic M83; Azirino(2',3':3,4)Pyrrolo(1,2-A)Indole-4,7-Dione, 1,1A,2,8,8A,8B-Hexahydro-8-(Hydroxymethyl)-6-(P-Hydroxyanilino)-8A-Methoxy-5-Methyl-, 8-Carbamate (Ester)
• Molecular Formula: C₂₁H₂₂N₄O₆
• Molecular Weight: 426.43
• CAS Registry Number: 70343-57-6
• SMILES: [C@]14(OC)N(C2=C([C@H]1COC(=O)N)C(=O)C(=C(C2=O)C)NC3=CC=C(O)C=C3)CC5NC45
• InChI: 1S/C21H22N4O6/c1-9-15(23-10-3-5-11(26)6-4-10)18(28)14-12(8-31-20(22)29)21(30-2)19-13(24-19)7-25(21)16(14)17(9)27/h3-6,12-13,19,23-24,26H,7-8H2,1-2H3,(H2,22,29)/t12-,13?,19?,21-/m1/s1
• InChIKey: HNTGDFCASLOZEZ-QHLODZMVSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 693.058°C at 760 mmHg (Cal.)
• Flash point: 372.948°C (Cal.)