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Isotope-labelled compounds

Plerixafor-d4

Also known as 1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane, Plerixafor-d, 1,1'-[1,4-(Phenylene-d4)bis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane,

CAS 1246819-87-3Formula C28H54N8Molar mass 506.82 g/mol
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Plerixafor-d4 chemical structure, C28H54N8, CAS 1246819-87-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1246819-87-3
Formula
C28H54N8
Molar mass
506.82 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Plerixafor-d4?

Plain description, key identifiers and synonyms

Plerixafor-d4 is a chemical substance with the molecular formula C28H54N8 and a molar mass of 506.82 g/mol. Its CAS registry number is 1246819-87-3. The IUPAC name is 1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CAS number
1246819-87-3 CAS number cross-checked
Molecular formula
C28H54N8
MDL number
MFCD19705148
InChIKey
YIQPUIGJQJDJOS-KDWZCNHSSA-N
InChI
InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2/i5D,6D,7D,8D
Canonical SMILES
c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1CN2CCCNCCNCCCNCC2)[2H])[2H])CN3CCCNCCNCCCNCC3)[2H]

Synonyms

  • 1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
  • Plerixafor-d
  • 1,1'-[1,4-(Phenylene-d4)bis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane,
  • TMID-0641
  • 1,1'-[(~2~H_4_)-1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)

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
506.82 g/molcalc.
Exact mass
506.4723 Dacalc.
LogP (octanol/water)
0.42calc.
Topological polar surface area
78.66 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
36calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1

c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1

3 rings, 36 atoms, the Plerixafor ring system.

6 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.

Plerixafor-d4 suppliers

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Plerixafor-d4 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 Plerixafor-d4 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 Plerixafor-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Plerixafor-d4, based on the data on this page

What is Plerixafor-d4?

Plerixafor-d4 is a chemical substance with the molecular formula C28H54N8 and a molar mass of 506.82 g/mol. Its CAS registry number is 1246819-87-3. The IUPAC name is 1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane.

What is the CAS number of Plerixafor-d4?

The CAS registry number of Plerixafor-d4 is 1246819-87-3.

What is the molecular formula and weight of Plerixafor-d4?

The molecular formula of Plerixafor-d4 is C28H54N8 and its molar mass is 506.82 g/mol.

What is Plerixafor-d4 used for?

Known uses and roles of Plerixafor-d4 include isotope-labelled compounds in research and laboratory.

Is Plerixafor-d4 hazardous?

No GHS hazard classification for Plerixafor-d4 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 Plerixafor-d4?

Plerixafor-d4 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 Plerixafor-d4?

Post a free request on CompoundList and suppliers of Plerixafor-d4 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Plerixafor-d4?

Suppliers quote Plerixafor-d4 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 Plerixafor-d4

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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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