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Screening compounds

DM-4107

Also known as Tolvaptan metabolite dm-4107, 5-Chloro-gamma-hydroxy-2-((2-methyl-4-((2-methylbenzoyl)amino)benzoyl)amino)benzenebutanoic acid, Benzenebutanoic acid, 5-chloro-gamma-hydroxy-2-((2-methyl-4-((2-methylbenzoyl)amino)benzoyl)amino)-

CAS 1346599-75-4Formula C26H25ClN2O5Molar mass 480.95 g/mol
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DM-4107 chemical structure, C26H25ClN2O5, CAS 1346599-75-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1346599-75-4
Formula
C26H25ClN2O5
Molar mass
480.95 g/mol
HS code
292429
Category
Screening compounds

What is DM-4107?

Plain description, key identifiers and synonyms

DM-4107 is a 4-hydroxy monocarboxylic acid that is 4-hydroxybutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An hydroxybutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan. It has a role as a drug metabolite. It is a 4-hydroxy monocarboxylic acid and a benzenedicarboxamide. It is functionally related to a tolvaptan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[5-chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-hydroxybutanoic acid
CAS number
1346599-75-4
Molecular formula
C26H25ClN2O5
UNII
UD18G27VSS
InChIKey
AJMZAIPORREFDJ-UHFFFAOYSA-N
InChI
InChI=1S/C26H25ClN2O5/c1-15-5-3-4-6-19(15)25(33)28-18-8-9-20(16(2)13-18)26(34)29-22-10-7-17(27)14-21(22)23(30)11-12-24(31)32/h3-10,13-14,23,30H,11-12H2,1-2H3,(H,28,33)(H,29,34)(H,31,32)
SMILES (canonical and isomeric)
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(CCC(=O)O)O)C

Synonyms

  • Tolvaptan metabolite dm-4107
  • 5-Chloro-gamma-hydroxy-2-((2-methyl-4-((2-methylbenzoyl)amino)benzoyl)amino)benzenebutanoic acid
  • Benzenebutanoic acid, 5-chloro-gamma-hydroxy-2-((2-methyl-4-((2-methylbenzoyl)amino)benzoyl)amino)-
  • 4-(5-chloro-2-(2-methyl-4-(2-methylbenzamido)benzamido)phenyl)-4-hydroxybutanoic acid
  • 4-{5-Chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl}-4-hydroxybutanoic acid
  • Tolvaptan gamma-Hydroxybutanoic Acid Impurity
  • 4-[5-chloro-2-[[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]amino]phenyl]-4-hydroxybutanoic acid
  • Tolvaptan ?-Hydroxybutanoic Acid Impurity
  • Tolvaptan |A-Hydroxybutanoic Acid 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
480.95 g/molcalc.
Exact mass
480.1452 Dacalc.
LogP (octanol/water)
5.36calc.
Topological polar surface area
115.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1

O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1

3 rings, 24 atoms, the 4-Benzamido-N-phenylbenzamide ring system.

44 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.

DM-4107 suppliers

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DM-4107 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

Roles

  • animal metabolite
  • drug metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • xenobiotic metabolite

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 DM-4107 is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for DM-4107 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about DM-4107, based on the data on this page

What is DM-4107?

DM-4107 is a 4-hydroxy monocarboxylic acid that is 4-hydroxybutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An hydroxybutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan. It has a role as a drug metabolite.

What is the CAS number of DM-4107?

The CAS registry number of DM-4107 is 1346599-75-4.

What is the molecular formula and weight of DM-4107?

The molecular formula of DM-4107 is C26H25ClN2O5 and its molar mass is 480.95 g/mol.

What is DM-4107 used for?

Known uses and roles of DM-4107 include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, drug metabolite, eukaryotic metabolite and 5 more.

Is DM-4107 hazardous?

No GHS hazard classification for DM-4107 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 DM-4107?

DM-4107 is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy DM-4107?

Post a free request on CompoundList and suppliers of DM-4107 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of DM-4107?

Suppliers quote DM-4107 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 DM-4107

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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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