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Heterocyclic building blocks

Canosimibe

Also known as Canosimiba, Canosimibum, N-(1-deoxy-L-glucitol-1-C-yl)-N'-((4-{(2S,3R))-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl}phenyl)methyl)dodecanediamide

CAS 768394-99-6Formula C44H60FN3O10Molar mass 809.97 g/mol
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Canosimibe chemical structure, C44H60FN3O10, CAS 768394-99-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
768394-99-6
Formula
C44H60FN3O10
Molar mass
809.97 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Canosimibe?

Plain description, key identifiers and synonyms

Canosimibe is a derivative of the cholesterol absorption inhibitor ezetimibe designed to be non-soluble and target the luminal surface of the GI tract. In Phase II trials canosimibe reduced LDL cholesterol levels, but it did not demonstrate the desired efficacy in a Phase III study, and was discontinued.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanediamide
CAS number
768394-99-6
Molecular formula
C44H60FN3O10
UNII
2GG0K1I5CI
InChIKey
JGNXLPQJHVVQHB-GXPLPOFXSA-N
InChI
InChI=1S/C44H60FN3O10/c1-58-34-22-16-31(17-23-34)41-35(24-25-36(50)30-14-18-32(45)19-15-30)44(57)48(41)33-20-12-29(13-21-33)26-46-39(53)10-8-6-4-2-3-5-7-9-11-40(54)47-27-37(51)42(55)43(56)38(52)28-49/h12-23,35-38,41-43,49-52,55-56H,2-11,24-28H2,1H3,(H,46,53)(H,47,54)/t35-,36+,37+,38-,41-,42-,43-/m1/s1
Canonical SMILES
COc1ccc(C2C(CCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(CNC(=O)CCCCCCCCCCC(=O)NCC(O)C(O)C(O)C(O)CO)cc2)cc1
Isomeric SMILES
COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)CNC(=O)CCCCCCCCCCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CC[C@@H](C4=CC=C(C=C4)F)O

Synonyms

  • Canosimiba
  • Canosimibum
  • N-(1-deoxy-L-glucitol-1-C-yl)-N'-((4-{(2S,3R))-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl}phenyl)methyl)dodecanediamide
  • N-(1-Deoxy-l-glucitol-1-c-yl)-N'-((4-((2S,3R))-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl)phenyl)methyl)dodecanediamide
  • ave5530

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
809.97 g/molcalc.
Exact mass
809.4263 Dacalc.
LogP (octanol/water)
4.12calc.
Topological polar surface area
209.1 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
26calc.
Heavy atoms
58calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C(CCCc2ccccc2)C(c2ccccc2)N1c1ccccc1

O=C1C(CCCc2ccccc2)C(c2ccccc2)N1c1ccccc1

4 rings, 26 atoms.

55 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Canosimibe suppliers

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Canosimibe 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Canosimibe is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Canosimibe?

Canosimibe is a derivative of the cholesterol absorption inhibitor ezetimibe designed to be non-soluble and target the luminal surface of the GI tract. In Phase II trials canosimibe reduced LDL cholesterol levels, but it did not demonstrate the desired efficacy in a Phase III study, and was discontinued.

What is the CAS number of Canosimibe?

The CAS registry number of Canosimibe is 768394-99-6.

What is the molecular formula and weight of Canosimibe?

The molecular formula of Canosimibe is C44H60FN3O10 and its molar mass is 809.97 g/mol.

What is Canosimibe used for?

Known uses and roles of Canosimibe include building blocks in research and laboratory.

Is Canosimibe hazardous?

No GHS hazard classification for Canosimibe is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Canosimibe?

Canosimibe is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Canosimibe?

Post a free request on CompoundList and suppliers of Canosimibe will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Canosimibe?

Suppliers quote Canosimibe 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 Canosimibe

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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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