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8-Hydroxyquinoline glucuronide

CAT: 0286-H17970Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0286-H17970Size:50 mg
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CAS Number
28245-31-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00063949
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

(2R,3R,4R,5S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid;trihydrate
CAS Number28245-31-0
PubChem CID133126440
IUPAC Name(2R,3R,4R,5S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid;trihydrate
Molecular FormulaC15H21NO10
Molecular Weight375.33
Topological Polar Surface Area132
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity434
SMILES
C1=CC2=C(C(=C1)OC3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)N=CC=C2.O.O.O
InChI
InChI=1S/C15H15NO7.3H2O/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8;;;/h1-6,10-13,15,17-19H,(H,20,21);3*1H2/t10-,11-,12+,13-,15?;;;/m1.../s1
InChIKey
IALZNTGZJDRHQE-JGTKMCETSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4R,5S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid;trihydrate
CAS: 28245-31-0
CID: 133126440
Formula: C15H21NO10
MW: 375.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.33
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass375.11654587
Monoisotopic Mass375.11654587
Topological Polar Surface Area132 Ų
Heavy Atom Count26
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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