Neridronate - Moligand™, ≥98% , CAS No.79778-41-9

CAS: 79778-41-9 Cat. No.: N340791 Summenformel: C₆H₁₇NO₇P₂ Molekulargewicht: 277.15 EG-Nummer: 635-979-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

Acide neridronique [INN-French] | Acido neridronico | (6-Amino-1-hydroxyhexane-1,1-diyl)bis(phosphonic acid) | (6-Azanyl-1-Oxidanyl-1-Phosphono-Hexyl)phosphonic Acid | 6-aminohexane-1-hydroxy-1,1-bisphosphonate | AHHexBP | Geomet | NERIDRONIC ACID [WHO-DD

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Neridronate is an aminobisphosphonate, licensed in Italy for the treatment of osteogenesis imperfecta (OI) and Paget’s disease of bone (PDB). Neridronate is effective also in other skeletal diseases such as osteoporosis, algodystrophy, hypercalcemia of malignancy, and bone metastases.

Specifications

Synonyme

Acide neridronique [INN-French] | Acido neridronico | (6-Amino-1-hydroxyhexane-1,1-diyl)bis(phosphonic acid) | (6-Azanyl-1-Oxidanyl-1-Phosphono-Hexyl)phosphonic Acid | 6-aminohexane-1-hydroxy-1,1-bisphosphonate | AHHexBP | Geomet | NERIDRONIC ACID [WHO-DD

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528771309
• Kanonisches Lächeln: C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
• IUPAC Name: (6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid
• InChIKey: PUUSSSIBPPTKTP-UHFFFAOYSA-N
• INCHI: 1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
• Isomere SMILES: C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
• Molekulargewicht: 277.15
• Reaxy-Rn: 8998606
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8998606&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water: >5 mg/mL
• Molekulargewicht: 277.150 g/mol
• XLogP3: -5.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 277.048 Da
• Monoisotopic Mass: 277.048 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 286.000
• 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: 1