KR 10876
Basic information
- CAS
150433-14-0- Standard SMILES
CC(O)C(=O)O.CN1CC2=C(C1)CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2- InChIKey
OFKJDDJMVBFUBI-UHFFFAOYSA-N- Molecular formula
- C23H25F2N3O6
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.17114185
Names & identifiers
- Preferred name
- KR 10876
- IUPAC
- 1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid
Names & synonyms
KR-10876150433-14-03-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-4-oxo-7-(3,4,5,6-tetrahydro-5-methylpyrrolo(3,4-c)pyrrol-2(1H)-yl)-, mono(2-hydroxypropanoate)KR 10876RefChem:350509DTXSID209339471-Cyclopropyl-6,8-difluoro-7-(5-methyl-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--2-hydroxypropanoic acid (1/1)
Database identifiers
- CAS
150433-14-0- PubChem CID
- 3073580
- DTXSID
DTXSID20933947
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 835
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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