CompoundList
Sign in
Glycosides and other natural products

4-Hydroxypropranolol glucuronide

Also known as beta-D-Glucopyranosiduronic acid, 2-[(4-hydroxy-1-naphthalenyl)oxy]-1-[[(1-methylethyl)amino]methyl]ethyl, beta-D-Glucopyranosiduronic acid, 2-((4-hydroxy-1-naphthalenyl)oxy)-1-(((1-methylethyl)amino)methyl)ethyl, 4-Hopg

CAS 29858-53-5Formula C22H29NO9Molar mass 451.47 g/mol
Get quotes Safety data
4-Hydroxypropranolol glucuronide chemical structure, C22H29NO9, CAS 29858-53-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
29858-53-5
Formula
C22H29NO9
Molar mass
451.47 g/mol
HS code
293890
Category
Glycosides and other natural products

What is 4-Hydroxypropranolol glucuronide?

Plain description, key identifiers and synonyms

4-Hydroxypropranolol glucuronide is a chemical substance with the molecular formula C22H29NO9 and a molar mass of 451.47 g/mol. Its CAS registry number is 29858-53-5. The IUPAC name is (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid
CAS number
29858-53-5 CAS number cross-checked
Molecular formula
C22H29NO9
UNII
VY58B6SD7Z
InChIKey
BAKXCGCWLWKBFW-MBOKBCRSSA-N
InChI
InChI=1S/C22H29NO9/c1-11(2)23-9-12(31-22-19(27)17(25)18(26)20(32-22)21(28)29)10-30-16-8-7-15(24)13-5-3-4-6-14(13)16/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1
Canonical SMILES
CC(C)NCC(COc1ccc(O)c2ccccc12)OC1OC(C(=O)O)C(O)C(O)C1O
Isomeric SMILES
CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

Synonyms

  • beta-D-Glucopyranosiduronic acid, 2-[(4-hydroxy-1-naphthalenyl)oxy]-1-[[(1-methylethyl)amino]methyl]ethyl
  • beta-D-Glucopyranosiduronic acid, 2-((4-hydroxy-1-naphthalenyl)oxy)-1-(((1-methylethyl)amino)methyl)ethyl
  • 4-Hopg
  • beta-D-Glucopyranosiduronic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-1-naphthalenyl, (5alpha,6beta)-
  • p-Hydroxypropranolol glucuronide
  • 4-Hydroxypropranololglucuronide
  • 4-Hydroxypropranolol ss-Glucuronide-D6
  • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid
  • 1-[(4-Hydroxynaphthalen-1-yl)oxy]-3-[(propan-2-yl)amino]propan-2-yl beta-D-glucopyranosiduronic acid
  • 1-[(4-Hydroxynaphthalen-1-yl)oxy]-3-[(propan-2-yl)amino]propan-2-yl hexopyranosiduronic acid

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
451.47 g/molcalc.
Exact mass
451.1842 Dacalc.
LogP (octanol/water)
0.2calc.
Topological polar surface area
157.9 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc2c(OCCOC3CCCCO3)cccc2c1

c1ccc2c(OCCOC3CCCCO3)cccc2c1

3 rings, 20 atoms.

9 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.

4-Hydroxypropranolol glucuronide suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade 4-Hydroxypropranolol glucuronide can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

4-Hydroxypropranolol glucuronide 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.

Get latest price

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 4-Hydroxypropranolol glucuronide is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for 4-Hydroxypropranolol glucuronide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Hydroxypropranolol glucuronide, based on the data on this page

What is 4-Hydroxypropranolol glucuronide?

4-Hydroxypropranolol glucuronide is a chemical substance with the molecular formula C22H29NO9 and a molar mass of 451.47 g/mol. Its CAS registry number is 29858-53-5. The IUPAC name is (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid.

What is the CAS number of 4-Hydroxypropranolol glucuronide?

The CAS registry number of 4-Hydroxypropranolol glucuronide is 29858-53-5.

What is the molecular formula and weight of 4-Hydroxypropranolol glucuronide?

The molecular formula of 4-Hydroxypropranolol glucuronide is C22H29NO9 and its molar mass is 451.47 g/mol.

Is 4-Hydroxypropranolol glucuronide hazardous?

No GHS hazard classification for 4-Hydroxypropranolol glucuronide 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 4-Hydroxypropranolol glucuronide?

4-Hydroxypropranolol glucuronide is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Hydroxypropranolol glucuronide?

Post a free request on CompoundList and suppliers of 4-Hydroxypropranolol glucuronide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Hydroxypropranolol glucuronide?

Suppliers quote 4-Hydroxypropranolol glucuronide 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 4-Hydroxypropranolol glucuronide

Get quotes for 4-Hydroxypropranolol glucuronide

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell this chemical
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 4-Hydroxypropranolol glucuronide with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/4-hydroxypropranolol-glucuronide-29858-53-5" title="4-Hydroxypropranolol glucuronide structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Glycosides and other natural products or HS code 293890

Price on request
Free quotes, contact stays private
Get quotes