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Amines and amides

Semapimod mesylate

Also known as Semapimod tetramesylate, Decanediamide, N1,N10-bis(3,5-bis(1-(2-(aminoiminomethyl)hydrazinylidene)ethyl)phenyl)-, methanesulfonate, N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide, methanesulfonic acid

CAS 872830-80-3Formula C38H68N18O14S4Molar mass 1,129.34 g/mol
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Semapimod mesylate chemical structure, C38H68N18O14S4, CAS 872830-80-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
872830-80-3
Formula
C38H68N18O14S4
Molar mass
1,129.34 g/mol
HS code
292529
Category
Amines and amides

What is Semapimod mesylate?

Plain description, key identifiers and synonyms

Semapimod mesylate is a chemical substance with the molecular formula C38H68N18O14S4 and a molar mass of 1,129.34 g/mol. Its CAS registry number is 872830-80-3. The IUPAC name is N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide, methanesulfonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide, methanesulfonic acid
CAS number
872830-80-3
Molecular formula
C38H68N18O14S4
UNII
8W415THB21
InChIKey
CKWNYVLFZNKVGX-RTQZJKMDSA-N
InChI
InChI=1S/C34H52N18O2.4CH4O3S/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42;4*1-5(2,3)4/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52);4*1H3,(H,2,3,4)/b45-19+,46-20+,47-21+,48-22+;;;;
Canonical SMILES
CC(=NN=C(N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=NN=C(N)N)cc(C(C)=NN=C(N)N)c2)cc(C(C)=NN=C(N)N)c1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O
Isomeric SMILES
C/C(=N\N=C(N)N)/C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

Synonyms

  • Semapimod tetramesylate
  • Decanediamide, N1,N10-bis(3,5-bis(1-(2-(aminoiminomethyl)hydrazinylidene)ethyl)phenyl)-, methanesulfonate
  • N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide, methanesulfonic 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
1,129.34 g/molcalc.
Exact mass
1,128.4045 Dacalc.
LogP (octanol/water)
-0.61calc.
Topological polar surface area
582.7 Ųcalc.
Hydrogen bond donors
14calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
19calc.
Heavy atoms
74calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
5calc.
Lipinski rule of five
Fails (3 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=C(CCCCCCCCC(=O)Nc1ccccc1)Nc1ccccc1

O=C(CCCCCCCCC(=O)Nc1ccccc1)Nc1ccccc1

2 rings, 26 atoms, the Sebacanilide ring system.

20 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.

Semapimod mesylate suppliers

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Semapimod mesylate 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 Semapimod mesylate is traded under.

HS 2925.29Indicative HS code

Imines and their derivatives, salts thereof, other

World exports in 2024
$1.8B
+12.4% vs 2023, imports $1.84B
2019 to 2024
Top exporters
  1. China35.9%
  2. France * partner reported15.5%
  3. Germany9.1%
Top importers
  1. United States13.3%
  2. China13.0%
  3. Brazil9.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Semapimod mesylate, based on the data on this page

What is Semapimod mesylate?

Semapimod mesylate is a chemical substance with the molecular formula C38H68N18O14S4 and a molar mass of 1,129.34 g/mol. Its CAS registry number is 872830-80-3. The IUPAC name is N,N'-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide, methanesulfonic acid.

What is the CAS number of Semapimod mesylate?

The CAS registry number of Semapimod mesylate is 872830-80-3.

What is the molecular formula and weight of Semapimod mesylate?

The molecular formula of Semapimod mesylate is C38H68N18O14S4 and its molar mass is 1,129.34 g/mol.

Is Semapimod mesylate hazardous?

No GHS hazard classification for Semapimod mesylate 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 Semapimod mesylate?

Semapimod mesylate is usually classified under HS code 292529 (Imines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Semapimod mesylate?

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

What is the price of Semapimod mesylate?

Suppliers quote Semapimod mesylate 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 Semapimod mesylate

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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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