Basic information
- CAS
105139-98-8- Standard SMILES
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1NC12- InChIKey
YJHYHDSHHWKEIS-LHRDQQHYSA-N- Molecular formula
- C17H21N3O7
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.13795002
Names & identifiers
- Preferred name
- [6-(2-Hydroxyethoxy)-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
- IUPAC
- [(4S)-11-(2-hydroxyethoxy)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- English name
- 7-(2-hydroxyethoxy)mitosane
- Molecular formula
- C17H21N3O7
- Molecular weight
- 379.36454
Names & synonyms
[6-(2-Hydroxyethoxy)-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 carbonimidateSCHEMBL29406074DTXSID80909360[(1aS)-6-(2-Hydroxyethoxy)-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 carbonimidate[(4S)-11-(2-Hydroxyethoxy)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate7-(2-hydroxyethoxy)mitosane
Database identifiers
- CAS
105139-98-8- PubChem CID
- 128809
- DTXSID
DTXSID80909360
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 804
Physicochemical properties
- FDA UNII
- 6 T7B5V394 · B6T7B5V394
Chemistry & industry
Applications
UsesBMY-25551 is a Mitomycin A (HY-130332) analogue that is 8 to 20 times more potent than Mitomycin C (HY-13316) in cytotoxicity to murine and human tumor cell lines. BMY-25551 can be utilized in cancer and hematologic depression research[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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