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Heterocyclic building blocks

Pemetrexed dimer

CAS 1644286-34-9Formula C8H16N2O4Molar mass 204.23 g/mol
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Pemetrexed dimer chemical structure, C8H16N2O4, CAS 1644286-34-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1644286-34-9
Formula
C8H16N2O4
Molar mass
204.23 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Pemetrexed dimer?

Plain description, key identifiers and synonyms

Pemetrexed dimer is a chemical substance with the molecular formula C8H16N2O4 and a molar mass of 204.23 g/mol. Its CAS registry number is 1644286-34-9. The IUPAC name is N-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CAS number
1644286-34-9
Molecular formula
C8H16N2O4
InChIKey
GBRAQQUMMCVTAV-AWEWAEBESA-N
InChI
InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5?,6?,7?,8-/m0/s1
Canonical SMILES
CC(=O)NC1CNC(CO)C(O)C1O
Isomeric SMILES
CC(=O)NC1CNC([C@@H](C1O)O)CO

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
204.23 g/molcalc.
Exact mass
204.111 Dacalc.
LogP (octanol/water)
-2.82calc.
Topological polar surface area
101.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1CCNCC1

C1CCNCC1

1 ring, 6 atoms, the Piperidine ring system.

32,085 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.

Pemetrexed dimer suppliers

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Pemetrexed dimer 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

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 Pemetrexed dimer is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pemetrexed dimer, based on the data on this page

What is Pemetrexed dimer?

Pemetrexed dimer is a chemical substance with the molecular formula C8H16N2O4 and a molar mass of 204.23 g/mol. Its CAS registry number is 1644286-34-9. The IUPAC name is N-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

What is the CAS number of Pemetrexed dimer?

The CAS registry number of Pemetrexed dimer is 1644286-34-9.

What is the molecular formula and weight of Pemetrexed dimer?

The molecular formula of Pemetrexed dimer is C8H16N2O4 and its molar mass is 204.23 g/mol.

What is Pemetrexed dimer used for?

Known uses and roles of Pemetrexed dimer include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pemetrexed dimer hazardous?

No GHS hazard classification for Pemetrexed dimer 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 Pemetrexed dimer?

Pemetrexed dimer is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pemetrexed dimer?

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What is the price of Pemetrexed dimer?

Suppliers quote Pemetrexed dimer 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 Pemetrexed dimer

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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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