9-epi-7-N-Dimethylaminomethylenemitomycin D

Base Information

• Chemical Name: 9-epi-7-N-Dimethylaminomethylenemitomycin D
• CAS No.: 105616-81-7
• Molecular Formula: C18H23 N5 O5
• Molecular Weight: 389.4057

Synonyms:9-epi-7-N-Dimethylaminomethylenemitomycin D;Mitomycin D, 9-epi-7-N-dimethylaminomethylene-;105616-81-7;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-6-(((dimethylamino)methylene)amino)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, (1aS-(1a-alpha,8-beta,8a-alpha,8b-alpha))-;LS-23378

Chemical Property of 9-epi-7-N-Dimethylaminomethylenemitomycin D

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 389.16991885
• Heavy Atom Count: 28
• Complexity: 891

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)O)N4C)N=CN(C)C
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)O)N4C)N=CN(C)C

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