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Impurities and reference standards

5-Hydroxyesomeprazole

Also known as 5-o-Desmethylesomeprazole, 1H-Benzimidazol-5-ol, 2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-, 1H-Benzimidazol-6-ol, 2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-

CAS 358675-51-1Formula C16H17N3O3SMolar mass 331.40 g/mol
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5-Hydroxyesomeprazole chemical structure, C16H17N3O3S, CAS 358675-51-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
358675-51-1
Formula
C16H17N3O3S
Molar mass
331.40 g/mol
HS code
293339
Category
Impurities and reference standards

What is 5-Hydroxyesomeprazole?

Plain description, key identifiers and synonyms

5-Hydroxyesomeprazole is a chemical substance with the molecular formula C16H17N3O3S and a molar mass of 331.40 g/mol. Its CAS registry number is 358675-51-1. The IUPAC name is 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-ol
CAS number
358675-51-1 CAS number cross-checked
Molecular formula
C16H17N3O3S
UNII
70LM138BBC
InChIKey
TWXDTVZNDQKCOS-QHCPKHFHSA-N
InChI
InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)/t23-/m0/s1
Canonical SMILES
COc1c(C)cnc(CS(=O)c2nc3ccc(O)cc3[nH]2)c1C
Isomeric SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)O

Synonyms

  • 5-o-Desmethylesomeprazole
  • 1H-Benzimidazol-5-ol, 2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-
  • 1H-Benzimidazol-6-ol, 2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-
  • (S)-2-(((4-Methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazol-6-ol
  • 2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-ol
  • Omeprazole Impurity 90
  • Esomeprazole Impurity 120
  • (S)-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazol-5-ol
  • 2-[(S)-(4-Methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzimidazol-6-ol
  • (S)-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazol-6-ol? (Esomeprazole Impurity

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
331.40 g/molcalc.
Exact mass
331.0991 Dacalc.
LogP (octanol/water)
2.6calc.
Topological polar surface area
88.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.25calc.
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=S(Cc1ccccn1)c1nc2ccccc2[nH]1

O=S(Cc1ccccn1)c1nc2ccccc2[nH]1

3 rings, 18 atoms, the Timoprazole ring system.

156 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.

5-Hydroxyesomeprazole suppliers

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5-Hydroxyesomeprazole 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 5-Hydroxyesomeprazole is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for 5-Hydroxyesomeprazole is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Hydroxyesomeprazole, based on the data on this page

What is 5-Hydroxyesomeprazole?

5-Hydroxyesomeprazole is a chemical substance with the molecular formula C16H17N3O3S and a molar mass of 331.40 g/mol. Its CAS registry number is 358675-51-1. The IUPAC name is 2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-ol.

What is the CAS number of 5-Hydroxyesomeprazole?

The CAS registry number of 5-Hydroxyesomeprazole is 358675-51-1.

What is the molecular formula and weight of 5-Hydroxyesomeprazole?

The molecular formula of 5-Hydroxyesomeprazole is C16H17N3O3S and its molar mass is 331.40 g/mol.

Is 5-Hydroxyesomeprazole hazardous?

No GHS hazard classification for 5-Hydroxyesomeprazole 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 5-Hydroxyesomeprazole?

5-Hydroxyesomeprazole is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-Hydroxyesomeprazole?

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What is the price of 5-Hydroxyesomeprazole?

Suppliers quote 5-Hydroxyesomeprazole 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 5-Hydroxyesomeprazole

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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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