KETOCONAZOLE

CAS 1404-88-2PubChem CID 452550

Tyrothricin

Tyrothricin is an antibiotic peptide complex produced and extracted from the aerobic Gram-positive bacillus Brevibacillus parabrevis which was previously categorized as Bacillus brevis and Bacillus aneurinolyticus. This complex is a mixture comprised of 60% tyrocidine cationic cyclic decapeptides (consisting largely of the six predominant tyrocidines, TrcA/A1, TrcB/B1, TrcC/C1, and other more minor contributors) and 40% neutral linear gramicidins (where valine-gramicidin A is often the major gramicidin present, although the mixture composition can vary). Moreover, tyrothricin possesses broad spectrum Gram-positive antibacterial and antifungal activity that has not seen many - if any - significant reportings of microbial resistance during the over 60 years of therapeutic use the complex has provided. Nevertheless, as tyrothricin is both cytolytic and hemolytic, it does demonstrate systemic toxicity, although certain formulations that are safe for human use like throat lozenges do exist. — DrugBank

IUPAC name

3-[(3R,6S,9S,12S,15S,17S,20S,22R,25S,28S)-20-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,22,25-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,18,21,24,27-nonaoxo-12-propan-2-yl-1,4,7,10,13,16,19,23,26-nonazabicyclo[26.3.0]hentriacontan-17-yl]propanoic acid

Molecular formula

C65H85N11O13

Molecular weight

1228.4 g/mol

Exact mass

1227.63283181 Da

XLogP3

1.9

Topological polar surface area

380.0 Ų

Hydrogen-bond donors

12

Hydrogen-bond acceptors

15

Covalent units

1

Defined stereocentres

10

Also known as

Retrieved from NIH PubChem on 2026-09-02 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 443-48-1PubChem CID 4173

Metronidazole

Metronidazole is a member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. It has a role as a radiosensitizing agent, an antiamoebic agent, an antimicrobial agent, an antiparasitic agent, a xenobiotic, an antibacterial drug, a prodrug, an antitrichomonal drug and an environmental contaminant. It is a primary alcohol, a member of imidazoles and a C-nitro compound. It is a conjugate base of a metronidazole(1+). — ChEBI

IUPAC name

2-(2-methyl-5-nitroimidazol-1-yl)ethanol

Molecular formula

C6H9N3O3

Molecular weight

171.15 g/mol

Exact mass

171.06439116 Da

XLogP3

0.0

Topological polar surface area

83.9 Ų

Hydrogen-bond donors

1

Hydrogen-bond acceptors

4

Covalent units

1

Defined stereocentres

0

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 536-33-4PubChem CID 2761171

Ethionamide

Ethionamide is a thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide. It has a role as an antitubercular agent, an antilipemic drug, a leprostatic drug, a fatty acid synthesis inhibitor and a prodrug. It is a member of pyridines and a thiocarboxamide. — ChEBI

IUPAC name

2-ethylpyridine-4-carbothioamide

Molecular formula

C8H10N2S

Molecular weight

166.25 g/mol

Exact mass

166.05646950 Da

XLogP3

1.1

Topological polar surface area

71.0 Ų

Hydrogen-bond donors

1

Hydrogen-bond acceptors

2

Covalent units

1

Defined stereocentres

0

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 60-56-0PubChem CID 1349907

Methimazole

Methimazole is a member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen. It has a role as an antithyroid drug. — ChEBI

IUPAC name

3-methyl-1H-imidazole-2-thione

Molecular formula

C4H6N2S

Molecular weight

114.17 g/mol

Exact mass

114.02516937 Da

XLogP3

-0.3

Topological polar surface area

47.4 Ų

Hydrogen-bond donors

1

Hydrogen-bond acceptors

1

Covalent units

1

Defined stereocentres

0

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 65277-42-1PubChem CID 47576

Ketoconazole

(2S,4R)-ketoconazole is a cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration. It is an enantiomer of a (2R,4S)-ketoconazole. — ChEBI

IUPAC name

1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Molecular formula

C26H28Cl2N4O4

Molecular weight

531.4 g/mol

Exact mass

530.1487608 Da

XLogP3

4.3

Topological polar surface area

69.1 Ų

Hydrogen-bond donors

0

Hydrogen-bond acceptors

6

Covalent units

1

Defined stereocentres

2

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 67-20-9PubChem CID 6604200

Nitrofurantoin

Nitrofurantoin is an imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. It has a role as an antiinfective agent, an antibacterial drug and a hepatotoxic agent. It is an imidazolidine-2,4-dione, an organonitrogen heterocyclic antibiotic, an organooxygen heterocyclic antibiotic and a nitrofuran antibiotic. It is functionally related to a semicarbazide. — ChEBI

IUPAC name

1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

Molecular formula

C8H6N4O5

Molecular weight

238.16 g/mol

Exact mass

238.03381930 Da

XLogP3

-0.5

Topological polar surface area

121.0 Ų

Hydrogen-bond donors

1

Hydrogen-bond acceptors

6

Covalent units

1

Defined stereocentres

0

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 67-45-8PubChem CID 5323714

Furazolidone

Furazolidone is a member of the class of oxazolidines that is 1,3-oxazolidin-2-one in which the hydrogen attached to the nitrogen is replaced by an N-{[(5-nitro-2-furyl)methylene]amino} group. It has antibacterial and antiprotozoal properties, and is used in the treatment of giardiasis and cholera. It has a role as an antiinfective agent, an antibacterial drug, an EC 1.4.3.4 (monoamine oxidase) inhibitor and an antitrichomonal drug. It is a member of oxazolidines and a nitrofuran antibiotic. — ChEBI

IUPAC name

3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

Molecular formula

C8H7N3O5

Molecular weight

225.16 g/mol

Exact mass

225.03857033 Da

XLogP3

-0.1

Topological polar surface area

101.0 Ų

Hydrogen-bond donors

0

Hydrogen-bond acceptors

6

Covalent units

1

Defined stereocentres

0

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

CAS 67-96-9PubChem CID 5311071

Dihydrotachysterol

Dihydrotachysterol is a hydroxy seco-steroid that is 9,10-secoergosta-5,7,22-triene substituted by a hydroxy group at position 3. A synthetic analogue of vitamin D that acts a bone density conservation agent. It has a role as a bone density conservation agent. It is a vitamin D, a seco-ergostane and a hydroxy seco-steroid. — ChEBI

IUPAC name

trans-(1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol

Molecular formula

C28H46O

Molecular weight

398.7 g/mol

Exact mass

398.354866087 Da

XLogP3

7.7

Topological polar surface area

20.2 Ų

Hydrogen-bond donors

1

Hydrogen-bond acceptors

1

Covalent units

1

Defined stereocentres

7

Also known as

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.