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Impurities and reference standards

Alvimopan impurity D

Also known as Alvimopan Impurity9, (R)-methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate, Methyl (R)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate

CAS 170098-41-6Formula C24H31NO3Molar mass 381.52 g/mol
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Alvimopan impurity D chemical structure, C24H31NO3, CAS 170098-41-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
170098-41-6
Formula
C24H31NO3
Molar mass
381.52 g/mol
HS code
293339
Category
Impurities and reference standards

What is Alvimopan impurity D?

Plain description, key identifiers and synonyms

Alvimopan impurity D is a chemical substance with the molecular formula C24H31NO3 and a molar mass of 381.52 g/mol. Its CAS registry number is 170098-41-6. The IUPAC name is methyl (2R)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2R)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
CAS number
170098-41-6
Molecular formula
C24H31NO3
InChIKey
CWTYRVDJNWXVCS-MFSJNOQSSA-N
InChI
InChI=1S/C24H31NO3/c1-18-16-25(13-12-24(18,2)21-10-7-11-22(26)15-21)17-20(23(27)28-3)14-19-8-5-4-6-9-19/h4-11,15,18,20,26H,12-14,16-17H2,1-3H3/t18-,20+,24+/m0/s1
Canonical SMILES
COC(=O)C(Cc1ccccc1)CN1CCC(C)(c2cccc(O)c2)C(C)C1
Isomeric SMILES
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@@H](CC3=CC=CC=C3)C(=O)OC

Synonyms

  • Alvimopan Impurity9
  • (R)-methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate
  • Methyl (R)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate
  • (R)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl piperidin-1-yl]propanoic acid methyl ester
  • methyl(alphaR,3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-alpha-(phenylmethyl)-1-piperidinepropanoate

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
381.52 g/molcalc.
Exact mass
381.2304 Dacalc.
LogP (octanol/water)
4.02calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc(CCCN2CCC(c3ccccc3)CC2)cc1

c1ccc(CCCN2CCC(c3ccccc3)CC2)cc1

3 rings, 21 atoms, the 4-Phenyl-1-(3-phenylpropyl)piperidine ring system.

41 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.

Alvimopan impurity D suppliers

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Alvimopan impurity D 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 Alvimopan impurity D 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 Alvimopan impurity D is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Alvimopan impurity D, based on the data on this page

What is Alvimopan impurity D?

Alvimopan impurity D is a chemical substance with the molecular formula C24H31NO3 and a molar mass of 381.52 g/mol. Its CAS registry number is 170098-41-6. The IUPAC name is methyl (2R)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate.

What is the CAS number of Alvimopan impurity D?

The CAS registry number of Alvimopan impurity D is 170098-41-6.

What is the molecular formula and weight of Alvimopan impurity D?

The molecular formula of Alvimopan impurity D is C24H31NO3 and its molar mass is 381.52 g/mol.

Is Alvimopan impurity D hazardous?

No GHS hazard classification for Alvimopan impurity D 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 Alvimopan impurity D?

Alvimopan impurity D 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 Alvimopan impurity D?

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

What is the price of Alvimopan impurity D?

Suppliers quote Alvimopan impurity D 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 Alvimopan impurity D

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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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