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Ibandronate chemical structure, C9H23NO7P2, CAS 114084-78-5
2D chemical structure

Key facts

What buyers check first

CAS number
114084-78-5
Formula
C9H23NO7P2
Molar mass
319.23 g/mol
EC number
688-095-0
HS code
293149
Category
Other active pharmaceutical ingredients

What is Ibandronate?

Plain description, key identifiers and synonyms

Ibandronic Acid is a third-generation amino-bisphosphonate with anti-resorptive and anti-hypercalcemic activities. Ibandronic acid binds to and adsorbs onto the surface of hydroxyapatite crystals in the bone matrix, thereby preventing osteoclast resorption. This agent also inhibits farnesyl pyrophosphate synthase, an enzyme involved in the mevalonate pathway. Inhibition of this enzyme prevents the formation of isoprenoids, thereby leading to a reduction in the farnesylation and geranylgeranylation of signaling proteins of G protein-coupled signaling, and, eventually, inducing apoptosis of osteoclasts. By inhibiting osteoclast-mediated bone resorption, ibandronic acid increases bone mineral density, decreases bone remodeling and turnover, as well as reduces bone pain.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
CAS number
114084-78-5 CAS number cross-checked
EC number
688-095-0
Molecular formula
C9H23NO7P2
UNII
UMD7G2653W
MDL number
MFCD00868772
InChIKey
MPBVHIBUJCELCL-UHFFFAOYSA-N
InChI
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)
SMILES (canonical and isomeric)
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

Synonyms

  • Ibandronic Acid
  • Bondenza
  • Iasibon
  • {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
  • Ibandronic Acid Teva
  • Ibandronic Acid Accord
  • Ibandronic Acid Sandoz
  • [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
  • Acido ibandronico
  • acide ibandronique
  • Quodixor
  • (1-hydroxy-3-(methyl(pentyl)amino)-1-phosphonopropyl)phosphonic acid
  • acidum ibandronicum
  • BM 210955
  • 1-hydroxy-3-(methylpentylamino)propylidenebisphosphonate
  • (1-hydroxy-3-(methylpentylamino)propylidene)bisphosphonate
  • Bondronat
  • Bonviva
  • Ibandronic acid (INN)
  • Phosphonic acid, P,P'-[1-hydroxy-3-(methylpentylamino)propylidene]bis-
  • (1-Hydroxy-3-(methylpentylamino)propylidene)diphosphonic acid
  • Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-
  • Acid ibandronico
  • [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid
  • BFQ
Show all 31 synonyms
  • Phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-
  • (1-Hydroxy-3-(methyl(pentyl)amino)propane-1,1-diyl)diphosphonic acid
  • Bisphosphonate 2
  • {1-hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid)
  • [1-Hydroxy-3-(methyl-pentyl-amino)-1-phosphono-propyl]-phosphonic acid
  • JMC515594 Compound 53

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
319.23 g/molcalc.
Exact mass
319.095 Dacalc.
LogP (octanol/water)
0.5calc.
Topological polar surface area
138.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
9calc.
Heavy atoms
19calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • 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.
  • P319Get medical help if you feel unwell.
  • 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.
  • 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 aid

Ibandronate suppliers

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Ibandronate 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.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Bone Density Conservation Agents

Roles

  • analgesic
  • antineoplastic agent
  • bone density conservation agent
  • pharmaceutical

Pharmacology

Ibandronic acid is a Bisphosphonate.

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 Ibandronate is traded under.

HS 2931.49Indicative HS code

Non-halogenated organo-phosphorous derivatives, other

World exports in 2024
$3.44B
−6.5% vs 2023, imports $3.07B
2022 to 2024
Top exporters
  1. China54.9%
  2. United States25.4%
  3. Germany5.1%
Top importers
  1. United States20.9%
  2. Argentina14.9%
  3. Brazil14.3%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Ibandronate, based on the data on this page

What is Ibandronate?

Ibandronic Acid is a third-generation amino-bisphosphonate with anti-resorptive and anti-hypercalcemic activities. Ibandronic acid binds to and adsorbs onto the surface of hydroxyapatite crystals in the bone matrix, thereby preventing osteoclast resorption.

What is the CAS number of Ibandronate?

The CAS registry number of Ibandronate is 114084-78-5.

What is the molecular formula and weight of Ibandronate?

The molecular formula of Ibandronate is C9H23NO7P2 and its molar mass is 319.23 g/mol.

What is Ibandronate used for?

Known uses and roles of Ibandronate include scale inhibitors in water treatment, scale inhibitors in oil, gas and lubricants, analgesic, antineoplastic agent, bone density conservation agent and 2 more.

Is Ibandronate hazardous?

Ibandronate carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ibandronate?

Ibandronate is usually classified under HS code 293149 (Non-halogenated organo-phosphorous derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ibandronate?

CompoundList lists 71 suppliers of Ibandronate in United States, China, Spain, India and 11 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ibandronate in India?

4 suppliers in India list Ibandronate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ibandronate?

Suppliers quote Ibandronate 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 Ibandronate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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