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Parabanic Acid

CAT: 0286-P01130-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
120-89-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014493
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
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

Parabanic acid

Parabanic acid is an imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5. It has a role as a human metabolite. It is a hydracid and an imidazolidinone. It derives from a hydride of an imidazolidine.

CAS Number120-89-8
PubChem CID67126
IUPAC Nameimidazolidine-2,4,5-trione
Molecular FormulaC3H2N2O3
Molecular Weight114.06
XLogP-0.9
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity155
SMILES
C1(=O)C(=O)NC(=O)N1
InChI
InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
InChIKey
ZFLIKDUSUDBGCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parabanic acid
CAS: 120-89-8
CID: 67126
Formula: C3H2N2O3
MW: 114.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.06
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass114.00654193
Monoisotopic Mass114.00654193
Topological Polar Surface Area75.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T20548Parabanic acid
TRC-B279160-500MG1-(Benzylideneamino)parabanic Acid
262398-011- (Benzylideneamino) parabanic acid
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B1077-98V1- (Benzylideneamino) parabanic Acid (1-Benzylideneamino-2,4,5-trioxoimidazolidine)
OR1071368-01Acid-apeg6-acid
MBS6083807-01Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
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