N(6)-3-Hydroxypropylmitomycin C

Base Information

• Chemical Name: N(6)-3-Hydroxypropylmitomycin C
• CAS No.: 78142-86-6
• Molecular Formula: C18H24N4O6
• Molecular Weight: 392.4064
• DSSTox Substance ID: DTXSID00999384
• Nikkaji Number: J420.672J
• Wikidata: Q82992385

Synonyms:78142-86-6;N6-3-HYDROXYPROPYLMITOMYCIN C;N(6)-3-Hydroxypropylmitomycin C;DTXSID00999384;8-(((Aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-tetrahydro-6-((3-hydroxypropyl)amino)-8a-methoxy-5-methylazirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione (1aR-(1aalpha,8beta,8aalpha,8balpha))-;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-tetrahydro-6-((3-hydroxypropyl)amino)-8a-methoxy-5-methyl-, (1aR-(1aalpha,8beta,8aalpha,8balpha))-;{6-[(3-Hydroxypropyl)amino]-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl hydrogen carbonimidate

Chemical Property of N(6)-3-Hydroxypropylmitomycin C

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 392.16958450
• Heavy Atom Count: 28
• Complexity: 821

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NCCCO
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCCO

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