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Amines and amides

Iosimenol

Also known as Iosmin, BP13 cpd, BP-13 cpd

CAS 181872-90-2Formula C31H36I6N6O14Molar mass 1,478.08 g/molEC 687-800-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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Iosimenol chemical structure, C31H36I6N6O14, CAS 181872-90-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
181872-90-2
Formula
C31H36I6N6O14
Molar mass
1,478.08 g/mol
EC number
687-800-9
HS code
292429
Category
Amines and amides

What is Iosimenol?

Plain description, key identifiers and synonyms

Iosimenol is an amidobenzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
CAS number
181872-90-2 CAS number cross-checked
EC number
687-800-9
Molecular formula
C31H36I6N6O14
UNII
QPG0485VLS
InChIKey
DLPPIGPJCKKVBA-UHFFFAOYSA-N
InChI
InChI=1S/C31H36I6N6O14/c32-20-16(28(38)54)22(34)26(24(36)18(20)30(56)40-2-10(48)6-44)42(4-12(50)8-46)14(52)1-15(53)43(5-13(51)9-47)27-23(35)17(29(39)55)21(33)19(25(27)37)31(57)41-3-11(49)7-45/h10-13,44-51H,1-9H2,(H2,38,54)(H2,39,55)(H,40,56)(H,41,57)
SMILES (canonical and isomeric)
C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N(CC(CO)O)C(=O)CC(=O)N(CC(CO)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)N)I)I

Synonyms

  • Iosmin
  • BP13 cpd
  • BP-13 cpd
  • 5,5'-((1,3-dioxo-1,3-propanediyl)bis((2,3-dihydroxypropyl)imino))bis(N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide)
  • 5,5'-(Propanedioylbis((2,3-dihydroxypropyl)imino)bis(N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide)
  • N,N'-bis(3-carbamoyl-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodophenyl)-N,N'-bis(2,3-dihydroxypropyl)malonamide
  • iosimenolum
  • ICJ 3393
  • BP 13 cpd
  • Iosimenol (INN/USAN)
  • 1,3-Benzenedicarboxamide, 5,5'-((1,3-dioxo-1,3-propanediyl)bis((2,3-dihydroxypropyl)imino))bis(N-(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 5,5'-[(1,3-dioxo-1,3-propanediyl)bis[(2,3-dihydroxypropyl)imino]]bis[n-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide]
  • 5,5'-{(1,3-Dioxopropane-1,3-diyl)bis[(2,3-dihydroxypropyl)azanediyl]}bis[N~1~-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboximidic 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
1,478.08 g/molcalc.
Exact mass
1,477.6558 Dacalc.
LogP (octanol/water)
-1.86calc.
Topological polar surface area
346.8 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
20calc.
Heavy atoms
57calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
4calc.
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(CC(=O)Nc1ccccc1)Nc1ccccc1

O=C(CC(=O)Nc1ccccc1)Nc1ccccc1

2 rings, 19 atoms, the Malonanilide ring system.

130 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Iosimenol suppliers

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

Frequently asked questions

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

What is Iosimenol?

Iosimenol is an amidobenzoic acid.

What is the CAS number of Iosimenol?

The CAS registry number of Iosimenol is 181872-90-2.

What is the molecular formula and weight of Iosimenol?

The molecular formula of Iosimenol is C31H36I6N6O14 and its molar mass is 1,478.08 g/mol.

Is Iosimenol hazardous?

Iosimenol carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Iosimenol?

Iosimenol 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 Iosimenol?

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What is the price of Iosimenol?

Suppliers quote Iosimenol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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