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Tolazoline Hydrochloride

HCID 6048
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
59-97-2
Standard SMILES
Cl.c1ccc(CC2=NCCN2)cc1
InChIKey
RHTNTTODYGNRSP-UHFFFAOYSA-N
Molecular formula
C10H13ClN2
Average molar mass
196.67 g/mol
Monoisotopic mass
196.0767261

Overview

Tolazoline hydrochloride is a member of benzenes.

Names & identifiers

Preferred name
Tolazoline Hydrochloride
IUPAC
2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride
English name
Tolazoline hydrochloride
Molecular formula
C10H13ClN2
Molecular weight
196.68

Names & synonyms

Tolazoline hydrochloride59-97-2Tolazoline HClBenzazoline hydrochloride1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, monohydrochlorideDTXSID90217182-Benzyl-2-imidazoline monohydrochlorideTCMDC-125842NSC-757353E669Z6S1JGDTXCID001718Tolazine Injection
Show more names
tolavadLaMbralarterodyltolazolinechlorideTIMTEC-BB SBB000360Priscol hydrochloride2-BENZYL-2-IMIDAZOLINEimidalinehydrochlorideTolazolin hydrochloride
RefChem:56142Tolazoline Monohydrochloride200-447-3Benzidazol2-benzyl-4,5-dihydro-1H-imidazole hydrochloridePriscoline2-Benzyl-2-imidazoline hydrochloridePriscoline hydrochloride

Database identifiers

CAS
59-97-2
PubChem CID
6048
DTXSID
DTXSID9021718

Properties

Computed structural properties

Topological polar surface area
24.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
169

Experimental & physicochemical properties

Human Drugs · 2 items

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section135.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
172 · 172-176 °C
storage temp.
Inert atmosphere,Room Temperature
solubility
DMSO (Slightly, Heated), Methanol (Slightly)
form
Crystalline Powder
color
White to almost white
Sensitive
Hygroscopic
Merck
14 · 14,9506
Stability
Hygroscopic
Major Application
pharmaceutical (small molecule)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationTolazoline hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, monohydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
WGK 3
tsca
TSCA listed
ridadr
2811
hs_code
29332900
Toxicity
LD50 orl-rat: 1200 mg/kg NIIRDN 6,511,82
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Drugs used to cause dilation of the blood vessels.

Uses & manufacturing

General Manufacturing Information1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, hydrochloride (1:1): INACTIVE
Applications · 3 items

Usesa-adrenergic antagonist. A peripheral vasodilator

UsesΑn α-adrenergic antagonist. A peripheral vasodilator.

Usesadrenergic blocker

Upstream & downstream products

Upstream raw materials

EthylenediamineBenzeneacetonitrileEthanol

Suppliers100 total

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
ChEMBL
CHEMBL1689
ChEBI
CHEBI:9615
UNII
E669Z6S1JG
EC Number
200-447-3
InChI
1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKey
RHTNTTODYGNRSP-UHFFFAOYSA-N
SMILES
Cl.C1CN=C(Cc2ccccc2)N1
CAS DataBase Reference
59 · 59-97-2(CAS DataBase Reference)
FDA UNII
669 Z6S1JG · E669Z6S1JG
EPA Substance Registry System
Tolazoline hydrochloride (59-97-2)
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
301 · P301+P312+P330-P305+P351+P338
target organs
Respiratory system
Hazard Codes
Xn
Risk Statements
22 · 22
Safety Statements
22 · 22
RIDADR
2811 · 2811
WGK Germany
3 · WGK 3
TSCA
TSCA listed
HS Code
29332900 · 29332900
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity
50 orl-rat: · LD50 orl-rat: 1200 mg/kg NIIRDN 6,511,82
22
Storage Class
11 - Combustible Solids
target organs
Respiratory system
Hazard statements
H302-H315-H319-H335
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P301+P312+P330-P305+P351+P338
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Additional notes

DefinitionChEBI: Tolazoline hydrochloride is a member of benzenes.