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Basic information
- CAS
144194-96-7- Standard SMILES
O=C(O)c1cn(C2CC2)c2c(Cl)c(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O- InChIKey
VRXORHRXNRJZCQ-ZUZCIYMTSA-N- Molecular formula
- C20H21ClFN3O3
- Average molar mass
- 405.857 g/mol
- Monoisotopic mass
- 405.12554743
Names & identifiers
- Preferred name
- BAY-Y-3118 free base
- IUPAC
- 8-Chloro-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- English name
- BAY-Y 3118
- Molecular formula
- C20H21ClFN3O3
- Molecular weight
- 405.85
Names & synonyms
BAY Y 3118,BAYY 31188-chloro-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-
Database identifiers
- CAS
144194-96-7、151213-16-0、151213-51-3- PubChem CID
- 119375
- DTXSID
DTXSID40164736- ChEMBL
CHEMBL107544- UNII
- 08VLU38WTI
- Nikkaji
- J523.405K
Properties
Physicochemical properties
- Boiling point
- 627.2 · 627.2±55.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 6.4 · 6.40±0.50(Predicted)
- color
- White to light yellow
- FDA UNII
- 8 VLU38WTI · 08VLU38WTI
Chemistry & industry
Applications
UsesBAY-Y 3118 is a new chlorofluoroquinolone with antimicrobial activity.
Suppliers15 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
BOC Sciences[email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
北京新研汇医药研发有限公司
Related reactions
1 records
Compound notes
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