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Nitrofurantoin Monohydrate

CAT: 0572-TRC-N075910-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N075910-50MGSize:50 mg
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CAS Number
17140-81-7
Synonyms
1-(((5-Nitrofuran-2-yl)methylene)amino)-imidazolidine-2,4-dione Hydrate; Furadantin Monohydrate
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
O.[O-][N+](=O)c1oc(\C=N\N2CC(=O)NC2=O)cc1
Molecular Formula
C8H8N4O6
Molecular Weight
256.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nitrofurantoin Monohydrate

Nitrofurantoin Monohydrate is a monohydrate form of nitrofurantoin, a synthetic derivative of imidazolidinedione (hydantoin) that inhibits bacterial DNA, RNA, and cell wall protein synthesis.

CAS Number17140-81-7
PubChem CID9571008
IUPAC Name1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;hydrate
Molecular FormulaC8H8N4O6
Molecular Weight256.17
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity390
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-].O
InChI
InChI=1S/C8H6N4O5.H2O/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;/h1-3H,4H2,(H,10,13,14);1H2/b9-3+;
InChIKey
NHBPVLAHAVEISO-JSGFVSQVSA-N
Chemical Structure
2D Structure
2D structure of Nitrofurantoin Monohydrate
CAS: 17140-81-7
CID: 9571008
Formula: C8H8N4O6
MW: 256.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.17
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass256.04438399
Monoisotopic Mass256.04438399
Topological Polar Surface Area122 Ų
Heavy Atom Count18
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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