Regadenoson
Also known as Rapiscan, CVT 3146, 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
Key facts
What buyers check first
- CAS number
- 313348-27-5
- Formula
- C15H18N8O5
- Molar mass
- 390.36 g/mol
- EC number
- 690-885-5
- HS code
- 293499
- Category
- Impurities and reference standards
What is Regadenoson?
Plain description, key identifiers and synonyms
Regadenoson is a purine nucleoside.
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-methylpyrazole-4-carboxamide
- CAS number
- 313348-27-5 CAS number cross-checked
- EC number
- 690-885-5
- Molecular formula
- C15H18N8O5
- UNII
- 7AXV542LZ4
- MDL number
- MFCD09832544
- InChIKey
- LZPZPHGJDAGEJZ-AKAIJSEGSA-N
- InChI
- InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
- Canonical SMILES
- CNC(=O)c1cnn(-c2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1
- Isomeric SMILES
- CNC(=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
- Rapiscan
- CVT 3146
- 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
- Adenosine, 2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]-
- (1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-N-methylcarboxamide
- Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-
- 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)purin-2-yl)-N-methylpyrazole-4-carboxamide
- Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-, monohydrate
- Regadenoson monohydrate
- Lexiscan
- Regadenoson anhydrous
- 2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine
- 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
- Regadenoson (INN)
- 1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-methyl-1H-pyrazole-4-carboxamide
- (1-{9-[(4s,2r,3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-n-methylcarboxamide
- Regadenoson Impurity 18
- 2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine, CVT 3146, Lexiscan, Regadenoson
- 2-[4-(methylcarbamoyl)-1h-pyrazol-1-yl]adenosine
- Regadenoson (Standard)
- Regadenoson, CVT-3146
- 1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
- 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]-N-methyl-pyrazole-4-carboxamide
- Adenosine, 2-[4-[(methylamino)carbonyl]-1H-
- 2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]-adenosine
Show all 26 synonymsShow fewer synonyms
- 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 methylamide
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 | 390.36 g/molcalc.Computed value |
|---|---|
| Exact mass | 390.14 Dacalc.Computed value |
| LogP (octanol/water) | -2.43calc.Computed value |
| Topological polar surface area | 186.5 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 5calc.Computed value |
| Hydrogen bond acceptors | 10calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 28calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.4calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H300Fatal if swallowed.
- H302Harmful if swallowed.
- H310Fatal in contact with skin.
- H312Harmful in contact with skin.
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H330Fatal if inhaled.
- H332Harmful if inhaled.
- H370Causes damage to organs.
Precautionary statements (27)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P284In case of inadequate ventilation wear respiratory protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P308 + P316If exposed or concerned: Get emergency medical help immediately.
- P316Get emergency medical help immediately.
- P317Get medical help.
- P320Specific treatment is urgent (see supplemental first aid instructions on the label).
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- 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 aidRegadenoson suppliers
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Where suppliers are based
56 suppliers in 13 countries
- China19
- United States15
- India8
- Czech Republic2
- Germany2
- United Kingdom2
- and 7 more countries
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Regadenoson 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
Pharmacological actions
- Adenosine A2 Receptor Agonists
Roles
- anti-anaemic agent
- cardiovascular drug
- pharmaceutical
Pharmacology
Regadenoson is an Adenosine Receptor Agonist. The mechanism of action of regadenoson is as an Adenosine Receptor Agonist.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Regadenoson is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Regadenoson is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Regadenoson, based on the data on this page
What is Regadenoson?
What is the CAS number of Regadenoson?
What is the molecular formula and weight of Regadenoson?
What is Regadenoson used for?
Is Regadenoson hazardous?
What is the HS code of Regadenoson?
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Where can I buy Regadenoson in India?
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Guides for buyers
Practical guides that help when you source, ship or handle Regadenoson
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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