Minodronate Monohydrate - ≥99% , CAS No.155648-60-5

CAS: 155648-60-5 Cat. No.: M158694 Formula: C₉H₁₂N₂O₇P₂·H₂O Peso molecolare: 340.16 Numero EC: 696-656-6

GRADE & PURITY ≥99%

Synonyms

F78008 | FT-0689647 | Acido tricloroacetico (TN) | Phosphonic acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, monohydrate | (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;hydrate | UNII-457X74V7ND | DTXSID80165944 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Explanation

Minodronate is a third-generation bisphosphonate used clinically alone or in combination to treat osteoporosis. It is an inhibitor of farnesyl diphosphate synthase that acts as a bone resorption inhibitor.

Specifications

Sinonimi

F78008 | FT-0689647 | Acido tricloroacetico (TN) | Phosphonic acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-, monohydrate | (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;hydrate | UNII-457X74V7ND | DTXSID80165944 |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504769387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769387
• Sorrisi canonici: C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.O
• IUPAC Name: (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;hydrate
• InChIKey: GPAPAOGRNKUFGH-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O7P2.H2O/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);1H2
• Isomeri SMILES: C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.O
• Peso molecolare: 340.16
• Reaxy-Rn: 8240148
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8240148&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Bisphosphonates Pyridines and derivatives N-substituted imidazoles Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bisphosphonate - Imidazopyridine - Imidazo[1,2-a]pyridine - N-substituted imidazole - Pyridine - Azole - Imidazole - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water
• Peso molecolare: 340.160 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 340.023 Da
• Monoisotopic Mass: 340.023 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 439.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 155648-60-5, the molecular formula is C9H12N2O7P2·H2O, and the molecular weight is 340.16 g/mol. InChIKey GPAPAOGRNKUFGH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.