Basic information
- CAS
35973-25-2- Standard SMILES
O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O- InChIKey
BMIZBCVEHSUUNO-UHFFFAOYSA-N- Molecular formula
- C10H6N2O5
- Average molar mass
- 234.16 g/mol
- Monoisotopic mass
- 234.0276713
Names & identifiers
- Preferred name
- 4-Hydroxy-8-nitroquinoline-3-carboxylic acid
- IUPAC
- 8-nitro-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 4-Hydroxy-8-(hydroxy(oxido)amino)-3-quinolinecarboxylic acid
- Molecular formula
- C10H6N2O5
- Molecular weight
- 234.16
Names & synonyms
4-hydroxy-8-nitroquinoline-3-carboxylic acidRefChem:91256635973-25-2DNA2 inhibitor C58-nitro-4-oxo-1H-quinoline-3-carboxylic acid3-Quinolinecarboxylicacid, 4-hydroxy-8-nitro-NSC15765MLS002638447MFCD00968678NSC 157658-Nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid4-Hydroxy-8-(hydroxy(oxido)amino)-3-quinolinecarboxylic acid
Show more names
NSC 15765 (Compound C5DNA2 inhibitor C5, 10 mM in DMSODNA2 inhibitor C5,inhibit,Inhibitor,DNA-2 inhibitor C5
NSC628113SMR001547927DNA2-IN-C53-Quinolinecarboxylic acid, 4-hydroxy-8-nitro-83475-06-34-Hydroxy-8-nitro-3-quinolinecarboxylic acid1,4-dihydro-8-nitro-4-oxo-3-quinolinecarboxylic acidCHEMBL176599
Database identifiers
- CAS
35973-25-2- PubChem CID
- 225906
- DTXSID
DTXSID00189521- ChEMBL
CHEMBL176599
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 465.4 · 465.4±45.0 °C(Predicted)
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 31.25 mg/mL · DMSO: 31.25 mg/mL (133.45 mM)
- form
- Solid
- pka
- 0.35 · 0.35±0.30(Predicted)
- color
- Light yellow to yellow
- SMILES
- O=C(C1=CN=C2C(C=CC=C2[N+]([O-])=O)=C1O)O
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Hydroxy-8-nitro-3-quinolinecarboxylic acid is used to identify enterobiome metabolites and putative uremic toxins as substrates of organic anion Transporter 1 (Oat1).
Suppliers21 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988941402 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [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]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Related reactions
4 records
Compound notes
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