(1S,2S,9S,9aR)-6-Methyl-7-(4-Methyl-2-Thiazolylamino)-9-(Carbamoyloxymethyl)-9a-Methoxy-1,2-Epimino-2,3,9,9a-Tetrahydro-1H-Pyrrolo[1,2-a]Indole-5,8-Dione
[CAS# 84397-36-4]

Identification

• Name: (1S,2S,9S,9aR)-6-Methyl-7-(4-Methyl-2-Thiazolylamino)-9-(Carbamoyloxymethyl)-9a-Methoxy-1,2-Epimino-2,3,9,9a-Tetrahydro-1H-Pyrrolo[1,2-a]Indole-5,8-Dione
• Synonyms: Mitomycin Analog R-2-2-19-80; Nsc329041
• Molecular Formula: C₁₉H₂₁N₅O₅S
• Molecular Weight: 431.47
• CAS Registry Number: 84397-36-4
• SMILES: [C@H]3([C@]1(N(C[C@H]2N[C@@H]12)C4=C3C(C(=C(C4=O)C)NC5=NC(=CS5)C)=O)OC)COC(N)=O
• InChI: 1S/C19H21N5O5S/c1-7-6-30-18(21-7)23-12-8(2)14(25)13-11(15(12)26)9(5-29-17(20)27)19(28-3)16-10(22-16)4-24(13)19/h6,9-10,16,22H,4-5H2,1-3H3,(H2,20,27)(H,21,23)/t9-,10+,16+,19-/m0/s1
• InChIKey: GJMYQLAUNLWMMV-ATEKAGDGSA-N

Properties

• Density: 1.567g/cm³ (Cal.)
• Boiling point: 665.743°C at 760 mmHg (Cal.)
• Flash point: 356.429°C (Cal.)