ContaminantDB: Terazosin hydrochloride

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 05:10:56 UTC

Update Date

2016-11-09 01:15:47 UTC

Accession Number

CHEM018354

Identification

Common Name

Terazosin hydrochloride

Class

Small Molecule

Description

Terazosin, sold under the brand name Hytrin among others, is a medication used to treat symptoms of an enlarged prostate and high blood pressure. For high blood pressure, it is a less preferred option. It is taken by mouth.Common side effects include dizziness, headache, tiredness, swelling, nausea, and low blood pressure with standing. Severe side effects may include priapism and low blood pressure. Prostate cancer should be ruled out before starting treatment. It is an alpha-1 blocker and works by relaxing blood vessels and the opening of the bladder.Terazosin was patented in 1975 and came into medical use in 1985. It is available as a generic medication. A month supply in the United Kingdom costs the NHS less than 2 £ as of 2019. In the United States the wholesale cost of this amount is about US$4.50.

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Hytrin BPH	MeSH
Hytrin	MeSH
Hytrine	MeSH
Tazusin	MeSH
Terazoflo	MeSH
Terazosin hexal	MeSH
Terazosina alter	MeSH
Terazosina qualix	MeSH
Zayasel	MeSH
Adecur	MeSH
Terazosin azu	MeSH
Terazosina kern	MeSH
Apo-terazosin	MeSH
Ratio-terazosin	MeSH
Nu-terazosin	MeSH
Dysalfa	MeSH
Terazosin, monohydrochloride, dihydrate	MeSH
PMS-Terazosin	MeSH
Terazosin hydrochloride anhydrous	MeSH
Flotrin	MeSH
Magnurol	MeSH
Terazosin	MeSH
Deflox	MeSH
Heitrin	MeSH
Novo-terazosin	MeSH
Sutif	MeSH
Hexal brand OF terazosin hydrochloride	MeSH

Chemical Formula

C₁₉H₂₆ClN₅O₄

Average Molecular Mass

423.894 g/mol

Monoisotopic Mass

423.167 g/mol

CAS Registry Number

63074-08-8

IUPAC Name

6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-imine hydrochloride

Traditional Name

terazosin hydrochloride

SMILES

Cl.COC1=C(OC)C=C2C(=N)NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1

InChI Identifier

InChI=1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H

InChI Key

IWSWDOUXSCRCKW-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazinanes

Sub Class

Piperazines

Direct Parent

N-arylpiperazines

Alternative Parents

Substituents

N-arylpiperazine
Quinazolinamine
Diazanaphthalene
Quinazoline
Anisole
Dialkylarylamine
Alkyl aryl ether
Aminopyrimidine
Pyrimidine
Imidolactam
Benzenoid
Heteroaromatic compound
Tetrahydrofuran
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Azacycle
Organonitrogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Primary amine
Organopnictogen compound
Organic oxide
Hydrochloride
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

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

Property	Value	Source
Water Solubility	0.13 g/L	ALOGPS
logP	0.77	ALOGPS
logP	0.36	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	11.21	ChemAxon
pKa (Strongest Basic)	8.48	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	99.48 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	115.72 m³·mol⁻¹	ChemAxon
Polarizability	41.65 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-000e-1292000000-91d572b74dcbbd0827e0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0000900000-2df3590d44b1dfcb3f54	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0000900000-2df3590d44b1dfcb3f54	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-0000900000-2df3590d44b1dfcb3f54	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0000900000-def4b5e7a0fcb9679502	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-0000900000-def4b5e7a0fcb9679502	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00di-0000900000-def4b5e7a0fcb9679502	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT000326

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Terazosin

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

44383

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Terazosin hydrochloride (CHEM018354)

Structure for CHEM018354: Terazosin hydrochloride