CompoundList
Sign in
Impurities and reference standards

Regadenoson impurity 2

Also known as 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine, 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N,N-dimethyl-1H-pyrazole-4-carboxamide, 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide

CAS 313348-31-1Formula C16H20N8O5Molar mass 404.39 g/mol
Get quotes Safety data
Regadenoson impurity 2 chemical structure, C16H20N8O5, CAS 313348-31-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
313348-31-1
Formula
C16H20N8O5
Molar mass
404.39 g/mol
HS code
293499
Category
Impurities and reference standards

What is Regadenoson impurity 2?

Plain description, key identifiers and synonyms

Regadenoson impurity 2 is a chemical substance with the molecular formula C16H20N8O5 and a molar mass of 404.39 g/mol. Its CAS registry number is 313348-31-1. The IUPAC name is 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide
CAS number
313348-31-1
Molecular formula
C16H20N8O5
InChIKey
HGPFIABPLAGCNQ-ORXWAGORSA-N
InChI
InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1
Canonical SMILES
CN(C)C(=O)c1cnn(-c2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1
Isomeric SMILES
CN(C)C(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

Synonyms

  • 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine
  • 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
  • 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide
  • Regadenoson Impurity N9
  • (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N,N-dimethylcarboxamide
  • (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2yl}pyrazol-4-yl)-N,N-dimethylcarboxamide
  • 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid dimethylamide

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
404.39 g/molcalc.
Exact mass
404.1557 Dacalc.
LogP (octanol/water)
-2.09calc.
Topological polar surface area
177.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
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, c1cnn(-c2ncc3ncn(C4CCCO4)c3n2)c1

c1cnn(-c2ncc3ncn(C4CCCO4)c3n2)c1

4 rings, 19 atoms.

12 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.

Regadenoson impurity 2 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Regadenoson impurity 2 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Regadenoson impurity 2 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Regadenoson impurity 2 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Regadenoson impurity 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Regadenoson impurity 2, based on the data on this page

What is Regadenoson impurity 2?

Regadenoson impurity 2 is a chemical substance with the molecular formula C16H20N8O5 and a molar mass of 404.39 g/mol. Its CAS registry number is 313348-31-1. The IUPAC name is 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide.

What is the CAS number of Regadenoson impurity 2?

The CAS registry number of Regadenoson impurity 2 is 313348-31-1.

What is the molecular formula and weight of Regadenoson impurity 2?

The molecular formula of Regadenoson impurity 2 is C16H20N8O5 and its molar mass is 404.39 g/mol.

Is Regadenoson impurity 2 hazardous?

No GHS hazard classification for Regadenoson impurity 2 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 Regadenoson impurity 2?

Regadenoson impurity 2 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Regadenoson impurity 2?

Post a free request on CompoundList and suppliers of Regadenoson impurity 2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Regadenoson impurity 2?

Suppliers quote Regadenoson impurity 2 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 Regadenoson impurity 2

Get quotes for Regadenoson impurity 2

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Regadenoson impurity 2
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Regadenoson impurity 2 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/regadenoson-impurity-2-313348-31-1" title="Regadenoson impurity 2 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Impurities and reference standards or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes