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Impurities and reference standards

Hydroxynefazodone

Also known as 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-, 3H-1,2,4-Triazol-3-one, 2-(3-(4-(4-chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-, 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one

CAS 98159-82-1Formula C25H32ClN5O3Molar mass 486.02 g/mol
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Hydroxynefazodone chemical structure, C25H32ClN5O3, CAS 98159-82-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
98159-82-1
Formula
C25H32ClN5O3
Molar mass
486.02 g/mol
HS code
293359
Category
Impurities and reference standards

What is Hydroxynefazodone?

Plain description, key identifiers and synonyms

Hydroxynefazodone is a member of piperazines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
CAS number
98159-82-1 CAS number cross-checkedOther or deprecated CAS: 98159-83-2
Molecular formula
C25H32ClN5O3
UNII
325402PVUU
InChIKey
VKGQYGXMUUBRBD-UHFFFAOYSA-N
InChI
InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3
SMILES (canonical and isomeric)
CC(C1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl)O

Synonyms

  • 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-
  • 3H-1,2,4-Triazol-3-one, 2-(3-(4-(4-chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-
  • 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
  • Nefazodone Impurity 6
  • 2-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propyl)-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one
  • 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one Dihydrochloride,
  • 2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
486.02 g/molcalc.
Exact mass
485.2194 Dacalc.
LogP (octanol/water)
3.04calc.
Topological polar surface area
75.76 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
10calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1n(CCOc2ccccc2)cnn1CCCN1CCN(c2ccccc2)CC1

O=c1n(CCOc2ccccc2)cnn1CCCN1CCN(c2ccccc2)CC1

4 rings, 30 atoms.

11 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Hydroxynefazodone suppliers

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Hydroxynefazodone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hydroxynefazodone is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hydroxynefazodone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hydroxynefazodone, based on the data on this page

What is Hydroxynefazodone?

Hydroxynefazodone is a member of piperazines.

What is the CAS number of Hydroxynefazodone?

The CAS registry number of Hydroxynefazodone is 98159-82-1. Other or deprecated CAS numbers: 98159-83-2.

What is the molecular formula and weight of Hydroxynefazodone?

The molecular formula of Hydroxynefazodone is C25H32ClN5O3 and its molar mass is 486.02 g/mol.

Is Hydroxynefazodone hazardous?

No GHS hazard classification for Hydroxynefazodone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Hydroxynefazodone?

Hydroxynefazodone is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hydroxynefazodone?

Post a free request on CompoundList and suppliers of Hydroxynefazodone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Hydroxynefazodone?

Suppliers quote Hydroxynefazodone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Hydroxynefazodone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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