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Analgesics and anti-inflammatories

Ocadusertib

Also known as Ocadusertib (USAN), 5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide, US10815206, Compound I-69

CAS 2382811-41-6Formula C25H25N5O4Molar mass 459.51 g/mol
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Ocadusertib chemical structure, C25H25N5O4, CAS 2382811-41-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2382811-41-6
Formula
C25H25N5O4
Molar mass
459.51 g/mol
HS code
293499
Category
Analgesics and anti-inflammatories

What is Ocadusertib?

Plain description, key identifiers and synonyms

Ocadusertib is a chemical substance with the molecular formula C25H25N5O4 and a molar mass of 459.51 g/mol. Its CAS registry number is 2382811-41-6. The IUPAC name is 5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CAS number
2382811-41-6
Molecular formula
C25H25N5O4
UNII
S53J4A7ME4
InChIKey
SQBZJKIINNRUFC-SFHVURJKSA-N
InChI
InChI=1S/C25H25N5O4/c1-25(2,33)12-11-17-9-10-20-19(13-17)30(3)24(32)18(15-34-20)26-23(31)22-27-21(28-29-22)14-16-7-5-4-6-8-16/h4-10,13,18,33H,14-15H2,1-3H3,(H,26,31)(H,27,28,29)/t18-/m0/s1
Canonical SMILES
CN1C(=O)C(NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#CC(C)(C)O)cc21
Isomeric SMILES
CC(C)(C#CC1=CC2=C(C=C1)OC[C@@H](C(=O)N2C)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)O

Synonyms

  • Ocadusertib (USAN)
  • 5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
  • US10815206, Compound I-69
  • US12065447, Compound ZB-R-76
  • compound I-30
  • 1H-1,2,4-Triazole-5-carboxamide, 3-(phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-7-(3-hydroxy-3-methyl-1-butyn-1-yl)-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-
  • 3-(Phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-7-(3-hydroxy-3-methyl-1-butyn-1-yl)-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide
  • 5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-yn-1-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
  • 5-Benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-yn-1-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzoxazepin-3-yl]-4H-1,2,4-triazole-3-carboxamide

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
459.51 g/molcalc.
Exact mass
459.1907 Dacalc.
LogP (octanol/water)
1.67calc.
Topological polar surface area
120.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.28calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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=C(NC1COc2ccccc2NC1=O)c1n[nH]c(Cc2ccccc2)n1

O=C(NC1COc2ccccc2NC1=O)c1n[nH]c(Cc2ccccc2)n1

4 rings, 27 atoms.

1 other chemical 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.

Ocadusertib suppliers

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Ocadusertib price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • anti-inflammatory agent
  • antipsoriatic
  • antirheumatic drug
  • dermatologic drug
  • pharmaceutical

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 Ocadusertib is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Ocadusertib?

Ocadusertib is a chemical substance with the molecular formula C25H25N5O4 and a molar mass of 459.51 g/mol. Its CAS registry number is 2382811-41-6. The IUPAC name is 5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide.

What is the CAS number of Ocadusertib?

The CAS registry number of Ocadusertib is 2382811-41-6.

What is the molecular formula and weight of Ocadusertib?

The molecular formula of Ocadusertib is C25H25N5O4 and its molar mass is 459.51 g/mol.

What is Ocadusertib used for?

Known uses and roles of Ocadusertib include anti-inflammatories in pharmaceuticals, anti-inflammatory agent, antipsoriatic, antirheumatic drug, dermatologic drug and 1 more.

Is Ocadusertib hazardous?

No GHS hazard classification for Ocadusertib 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 Ocadusertib?

Ocadusertib is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ocadusertib?

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

What is the price of Ocadusertib?

Suppliers quote Ocadusertib 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

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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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