Ibandronic Acid-d3 , CAS No.1130899-41-0

CAS: 1130899-41-0 Cat. No.: I353109 Formule: C₉H₂₀D₃NO₇P₂ Poids moléculaire: 322.25

Synonyms

HY-B0515AS1 | AKOS025310083 | {1-Hydroxy-3-[(~2~H_3_)methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid) | DTXSID20649399 | [1-Hydroxy-3-[(methyl-d3)pentylamino]propylidene]bisphosphonic Acid | Ibandronic Acid-d3 | 1130899-41-0 | Ibandronate-d3 | J-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Ibandronic Acid-d3 is labeled Ibandronic Acid a bisphosphonate antiresorptive agent. Bone resorption inhibitor.

Specifications

Synonymes

HY-B0515AS1 | AKOS025310083 | {1-Hydroxy-3-[(~2~H_3_)methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid) | DTXSID20649399 | [1-Hydroxy-3-[(methyl-d3)pentylamino]propylidene]bisphosphonic Acid | Ibandronic Acid-d3 | 1130899-41-0 | Ibandronate-d3 | J-

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

IUPAC Name

[1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphonopropyl]phosphonic acid

InChIKey

MPBVHIBUJCELCL-BMSJAHLVSA-N

INCHI

1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)/i2D3

Isomères SMILES

[2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O

Poids moléculaire

322.25

Reaxy-Rn

18949219

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18949219&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids 1,3-aminoalcohols Trialkylamines Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 322.250 g/mol
• XLogP3: -4.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 322.114 Da
• Monoisotopic Mass: 322.114 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 342.000
• Isotope Atom Count: 3
• 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

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1130899-41-0, the molecular formula is C9H20D3NO7P2, and the molecular weight is 322.25 g/mol. InChIKey MPBVHIBUJCELCL-BMSJAHLVSA-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.