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Heterocyclic building blocks

Desmethylranitidine

Also known as 5-Desmethylranitidine, 1,1-Ethenediamine, N-methyl-N'-(2-(((5-((methylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-, Desmethyl Ranitidine

CAS 66357-25-3Formula C12H20N4O3SMolar mass 300.38 g/mol
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Desmethylranitidine chemical structure, C12H20N4O3S, CAS 66357-25-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66357-25-3
Formula
C12H20N4O3S
Molar mass
300.38 g/mol
HS code
293219
Category
Heterocyclic building blocks

What is Desmethylranitidine?

Plain description, key identifiers and synonyms

Desmethylranitidine is a member of the class of furans that is a metabolite of ranitidine in rats and humans. It has a role as a drug metabolite, a human urinary metabolite and a rat metabolite. It is an organic sulfide, a member of furans, a C-nitro compound and a secondary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
CAS number
66357-25-3
Molecular formula
C12H20N4O3S
UNII
L0OF19OW3L
InChIKey
WZLBVRXZNDXPPW-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3
SMILES (canonical and isomeric)
CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC

Synonyms

  • 5-Desmethylranitidine
  • 1,1-Ethenediamine, N-methyl-N'-(2-(((5-((methylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-
  • Desmethyl Ranitidine
  • 1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
  • N(1)-methyl-N'(1)-{2-[({5-[(methylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2-nitroethene-1,1-diamine
  • N-[2-[[[5-(methylamino )methyl-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine
  • N-[2-[[[5-(methylamino)methyl-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine
  • N~1~-Methyl-N'~1~-{2-[({5-[(methylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2-nitroethene-1,1-diamine

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
300.38 g/molcalc.
Exact mass
300.1256 Dacalc.
LogP (octanol/water)
1.12calc.
Topological polar surface area
92.37 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccoc1

c1ccoc1

1 ring, 5 atoms, the Furan ring system.

12,988 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.

Desmethylranitidine suppliers

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Desmethylranitidine 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 urinary metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • rat 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 Desmethylranitidine is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Desmethylranitidine?

Desmethylranitidine is a member of the class of furans that is a metabolite of ranitidine in rats and humans. It has a role as a drug metabolite, a human urinary metabolite and a rat metabolite. It is an organic sulfide, a member of furans, a C-nitro compound and a secondary amino compound.

What is the CAS number of Desmethylranitidine?

The CAS registry number of Desmethylranitidine is 66357-25-3.

What is the molecular formula and weight of Desmethylranitidine?

The molecular formula of Desmethylranitidine is C12H20N4O3S and its molar mass is 300.38 g/mol.

What is Desmethylranitidine used for?

Known uses and roles of Desmethylranitidine include building blocks in research and laboratory, animal metabolite, drug metabolite, eukaryotic metabolite, human metabolite and 6 more.

Is Desmethylranitidine hazardous?

No GHS hazard classification for Desmethylranitidine 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 Desmethylranitidine?

Desmethylranitidine is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Desmethylranitidine?

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

What is the price of Desmethylranitidine?

Suppliers quote Desmethylranitidine 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 Desmethylranitidine

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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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