Basic information
- CAS
7041-61-4- Standard SMILES
COC12C(COC(N)=O)C3=C(C(O)=C(C)C(=O)C3=O)N1CC1NC12- InChIKey
WKYZYLKGCNBEMG-UHFFFAOYSA-N- Molecular formula
- C15H17N3O6
- Average molar mass
- 335.31 g/mol
- Monoisotopic mass
- 335.11173527
Names & identifiers
- Preferred name
- (4-Hydroxy-8a-methoxy-5-methyl-6,7-dioxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate
- IUPAC
- (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
- English name
- Nsc123105
- Molecular formula
- C15H17N3O6
- Molecular weight
- 335.31
Names & synonyms
7041-61-4(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(4-hydroxy-8a-methoxy-5-methyl-6,7-dioxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamateMitomycin deriv. T 9Mitomycin C deriv. T-9MITOMYCIN DERIV T-9DTXSID40990613MFCD00210779NSC123105AKOS030242897FA18117NSC-123105
Show more names
7-Hydroxymitosane7-Hydroxy MitomycinMitomycin impurity 10Mitomycin A 7-DemethylMitomycin Impurity 5(7-Hydroxy Mitomycin)Azirino[2',3':3,4]pyrrolo[1,2-.alpha.]indole-4,7-dione, 1,1A,2,8,8A,8B-hexahydro-6-hydroxy-8-(hydroxymethyl)-8A-methoxy-5-methyl-, 8-carbamateAzirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6-hydroxy-8a-methoxy-5-methyl-, (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 hydrogen carbonimidate(6-Hydroxy-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate2-[[(3a,5b,12a)-7-Azi-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid sodium saltAzirino[2',4]pyrrolo[1,2-.alpha.]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-hydroxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, 8-carbamate
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Boiling point
- 591.4 · 591.4±50.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Applications
Uses7-Demethyl Mitomycin A is a derivative of Mitomycin A (M371890), which is analog of Mitomycin C (M371900) that is antitumor antibiotic.
Upstream & downstream products
Downstream products
Suppliers4 total
深圳市简一生物科技有限公司0755-84826604 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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