7-demethylmitomycin A

Base Information

• Chemical Name: 7-demethylmitomycin A
• CAS No.: 7041-61-4
• Molecular Formula: C15H17N3O6
• Molecular Weight: 335.316
• Nikkaji Number: J389.051A
• Wikidata: Q76421918,Q27158564
• Mol file: 7041-61-4.mol

Synonyms:7-demethylmitomycin A;Hydroxymitomycin C;7-Hydroxy-9a-methoxymitosane;6-demethylmitomycin A;7041-61-4;HydroxymitomycinC;BRN 5773713;7-Demethyl Mitomycin A;7-O-Demethylmitomycin A;7-hydroxy9a-methoxymitosane;7 -hydroxy-9a-methoxymitosane;CHEBI:85419;WKYZYLKGCNBEMG-WUDYKRTCSA-N;NSC 123105;C21163;Q27158564;[(1aS,8S,8aR,8bS)-6-hydroxy-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 carbamate;[(4S,6S,7R,8S)-13-hydroxy-7-methoxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamate;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-hydroxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)

Chemical Property of 7-demethylmitomycin A

Chemical Property:

• Boiling Point: 512.1°Cat760mmHg
• Flash Point: 263.5°C
• Density: 1.61g/cm³
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 335.11173527
• Heavy Atom Count: 24
• Complexity: 756

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C(C3(N2CC4C3N4)OC)COC(=O)N)C(=O)C1=O)O
• Isomeric SMILES: CC1=C(C2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C(=O)C1=O)O