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Isotope-labelled compounds

Ziprasidone-d8

Also known as Ziprasidone D8, 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one, C21H21ClN4OS

CAS 1126745-58-1Formula C21H21ClN4OSMolar mass 420.99 g/molEC 808-681-3
GHS signal word: Warning. Pictograms: Serious health hazard 2 suppliers listed
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Ziprasidone-d8 chemical structure, C21H21ClN4OS, CAS 1126745-58-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1126745-58-1
Formula
C21H21ClN4OS
Molar mass
420.99 g/mol
EC number
808-681-3
HS code
284590
Category
Isotope-labelled compounds

What is Ziprasidone-d8?

Plain description, key identifiers and synonyms

Ziprasidone-d8 is a chemical substance with the molecular formula C21H21ClN4OS and a molar mass of 420.99 g/mol. Its CAS registry number is 1126745-58-1. The IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
CAS number
1126745-58-1
EC number
808-681-3
Molecular formula
C21H21ClN4OS
MDL number
MFCD08064205
InChIKey
MVWVFYHBGMAFLY-UFBJYANTSA-N
InChI
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/i7D2,8D2,9D2,10D2
Canonical SMILES
O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
Isomeric SMILES
[2H]C1(C(N(C(C(N1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)([2H])[2H])([2H])[2H])C4=NSC5=CC=CC=C54)([2H])[2H])[2H]

Synonyms

  • Ziprasidone D8
  • 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
  • C21H21ClN4OS
  • CP-88059 D8
  • 5-[2-[4-(1,2-Benzisothiazol-3yl)-1-(piperazinyl-d8)]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one,
  • Ziprasidone-(piperazine-d8), 97 atom % D, 97% (CP)
  • 5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)ethyl)-6-chloroindolin-2-one
  • 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl]ethyl]-6-chloro-indolin-2-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
420.99 g/molcalc.
Exact mass
420.1627 Dacalc.
LogP (octanol/water)
3.81calc.
Topological polar surface area
48.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1

O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2N1

5 rings, 27 atoms, the Ziprasidone impurity 10 ring system.

10 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (3)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P319Get medical help if you feel unwell.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Ziprasidone-d8 suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Ziprasidone-d8 price

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Uses and applications

What the substance is used for, by industry and function

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 Ziprasidone-d8 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ziprasidone-d8 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ziprasidone-d8, based on the data on this page

What is Ziprasidone-d8?

Ziprasidone-d8 is a chemical substance with the molecular formula C21H21ClN4OS and a molar mass of 420.99 g/mol. Its CAS registry number is 1126745-58-1. The IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one.

What is the CAS number of Ziprasidone-d8?

The CAS registry number of Ziprasidone-d8 is 1126745-58-1.

What is the molecular formula and weight of Ziprasidone-d8?

The molecular formula of Ziprasidone-d8 is C21H21ClN4OS and its molar mass is 420.99 g/mol.

What is Ziprasidone-d8 used for?

Known uses and roles of Ziprasidone-d8 include isotope-labelled compounds in research and laboratory.

Is Ziprasidone-d8 hazardous?

Ziprasidone-d8 carries the GHS signal word "Warning". Main hazards: may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ziprasidone-d8?

Ziprasidone-d8 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ziprasidone-d8?

CompoundList lists 2 suppliers of Ziprasidone-d8 in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ziprasidone-d8 in India?

1 supplier in India list Ziprasidone-d8 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ziprasidone-d8?

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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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