Vorozole (CED0011965)

Record Information

Version

1.0

Creation Date

2026-04-14 19:32:05 UTC

Update Date

2026-05-14 19:36:57 UTC

Accession Number

CHEM131968

Identification

Common Name

Vorozole

Class

Small Molecule

Description

Vorozole is an organic compound with the formula C16H13ClN6 and an average molecular weight of 324.77 g/mol. Vorozole belongs to the benzotriazoles, a class of organoheterocyclic compounds within the organic compounds. Regarding its biological activity, one protein target has been recorded for this compound, as it acts as an inhibitor of Aromatase (CYP19A1).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₃ClN₆

Average Molecular Mass

324.770 g/mol

Monoisotopic Mass

324.089 g/mol

CAS Registry Number

129731-10-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN1N=NC2=CC=C(C=C12)[C@@H](N1C=NC=N1)C1=CC=C(Cl)C=C1

InChI Identifier

InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1

InChI Key

XLMPPFTZALNBFS-INIZCTEOSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0a6r-4190000000-a6a98579d6f21a6ba73b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0009000000-ec7b479c0909441bd2a9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00fr-0095000000-3000037d9292990432a3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0596-1690000000-afee3a9e8342ede8e55e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0009000000-f1a7fc1c1e6bad3b7755	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dj-0098000000-befd1a526187f47885b5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-016s-2291000000-a0cecabef54e88b973f2	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1326.0	Log mg/kg	[750:2400]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
685	Ceramics	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cytochrome P450 14alpha-demethylase	A1XG20	Penicillium digitatum	Predicted (SEA)	0.311397
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	1568.12
Click to view 3D structure	Allene oxide synthase, chloroplastic	Q96242	Arabidopsis thaliana	Predicted (SEA)	1.71268
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1714.4
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	136.625
Click to view 3D structure	Cytochrome P450 11B1, mitochondrial	P15538	Humans	Predicted (SEA)	99.4135
Click to view 3D structure	Aromatase	P22443	Rattus norvegicus	Predicted (SEA)	1.40129
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	2840.8
Click to view 3D structure	Cytochrome P450 11B2, mitochondrial	P19099	Humans	Predicted (SEA)	142.386
Click to view 3D structure	Cytochrome P450 2B11	P24460	Canis lupus familiaris	Predicted (SEA)	15.6477
Click to view 3D structure	Sterol 14-alpha demethylase	Q7Z1V1	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	90.6165
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	6647.93
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	6524.78
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	4627.82
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	5744.88
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	5008.51
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	5417.45
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	5218.0
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	5128.32
Click to view 3D structure	Serine/threonine-protein kinase TAO1	Q7L7X3	Humans	Predicted (SEA)	4897.57
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	5571.51
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	5425.0
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	5354.86
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	5226.41
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	5067.91