CAS 965-52-6|4-hydroxy-N'-[(5-nitrofuran-2-yl)methylidene]benzohydrazide|4-hydroxy-N'-[(5-nitrofuran-2-yl)methylidene]benzohydrazide|NIFUROXAZIDE|5-Nitro-2-furaldehyde p-hydroxybenzoylhydrazone|akab...

General Information

Structure

Molecular Formula

C₁₂H₉N₃O₅

Molecular Mass

275.21696

Exact Mass

275.0542204

Charge

InChI

InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)

InChIKey

YCWSUKQGVSGXJO-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-]

Isomeric Smiles

Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

8.326516

H Acceptors

H Donor

LogD (pH = 5.5)

1.7484487

LogD (pH = 7.4)

1.7008413

Log P

1.7490913

Molar Refractivity

68.1811

Polarizability

24.837809

Polar Surface Area

117.97

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-hydroxy-N'-[(5-nitrofuran-2-yl)methylidene]benzohydrazide akabar 4-hydroxy-N'-[(1E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide nifuroxazide

IUPAC name

4-hydroxy-N'-[(5-nitrofuran-2-yl)methylidene]benzohydrazide 4-hydroxy-N'-[(1E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide

Synonyms

NIFUROXAZIDE5-Nitro-2-furaldehyde p-hydroxybenzoylhydrazone4-羟基-2'-(5-硝基呋喃甲叉)-苯酰肼Nifuroxazide硝呋齐特PentofurylRC 30-109PanfurexBacifuraneDicoferinErcefuril(5-Nitro-2-furfurylidene)(4-hydroxybenzoyl)hydrazineAmbatrol4-Hydroxybenzoic Acid 2-[(5-Nitro-2-furanyl)methylene]hydrazideEnterofurilRC 27109DiarlidanAdralDiarretAntinal

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

PubChem CID

MDL Number

Beilstein Number

Registration numbers

Properties

Safety Information

RTECS

DH2528300

Storage Condition

Room Temperature (15-30°C)

Refrigerator, Under Inert Atmosphere

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C12H9N3O5

Grade

VETRANAL™, analytical standard

Application(s)

Antibiotic

Used in treatment of colitis and diarrhoea

Antiseptic

Antibacterial agent

Free Base

Physical Property

Melting Point

281-283°C

Apperance

Yellow Solid

Solubility

DMSO

Pharmacology Properties

Target

Others

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02155833

(5-Nitro-2-furaldehyde p-hydroxybenzoylhydrazone)

Sigma Aldrich

46494

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

TRC

N458500

Intestinal antiseptic.

Molecule Details

References

PubChem Literature

From Data Sources

• Thabaut, A., et al.: Gaz. Med. Fr., 85, 4516 (1963)

• Carron, M.C.E., et al.: Ann. Pharm. Fr., 21, 287 (1963)

• Gustowski, W. et al., Pol. J. Chem. (Rocz. Chem.), 1963, 37, 437, (synth)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 2732, (synonyms)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 1394

• El-Obeid, H.A. et al., Pharm. Res., 1985, 42, (synth, props)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DGQ500

• Carron, M. et al., Ann. Pharm. Fr., 1963, 61, 287, (synth, pharmacol)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

4-hydroxy-N'-[(5-nitrofuran-2-yl)methylidene]benzohydrazide akabar 4-hydroxy-N'-[(1E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide nifuroxazide

IUPAC name

4-hydroxy-N'-[(5-nitrofuran-2-yl)methylidene]benzohydrazide 4-hydroxy-N'-[(1E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide

Synonyms

Registration numbers

CAS Number

EC Number

PubChem SID

PubChem CID

MDL Number

Beilstein Number

Molecule Details

(5-Nitro-2-furaldehyde p-hydroxybenzoylhydrazone)

Sigma Aldrich

46494

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

TRC

N458500

Intestinal antiseptic.

References

PubChem Literature

From Data Sources

• Thabaut, A., et al.: Gaz. Med. Fr., 85, 4516 (1963)

• Carron, M.C.E., et al.: Ann. Pharm. Fr., 21, 287 (1963)

• Gustowski, W. et al., Pol. J. Chem. (Rocz. Chem.), 1963, 37, 437, (synth)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 2732, (synonyms)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 1394

• El-Obeid, H.A. et al., Pharm. Res., 1985, 42, (synth, props)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DGQ500

• Carron, M. et al., Ann. Pharm. Fr., 1963, 61, 287, (synth, pharmacol)

Bioactivity

PubChem BioAssay

Properties

Safety Information

RTECS

DH2528300

Storage Condition

Room Temperature (15-30°C)

Refrigerator, Under Inert Atmosphere

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

Product Information

Certificate of Analysis

Download link

Empirical Formula (Hill Notation)

C12H9N3O5

Grade

VETRANAL™, analytical standard

Application(s)

Antibiotic

Used in treatment of colitis and diarrhoea

Antiseptic

Antibacterial agent

Free Base

Physical Property

Melting Point

281-283°C

Apperance

Yellow Solid

Solubility

DMSO

Pharmacology Properties

Target

Others

Molecule

ID:104415