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Amines and amides

Orb1701876

Formula C57H40N6NaO41S12Molar mass 1,872.74 g/mol
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Orb1701876 chemical structure, C57H40N6NaO41S12
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C57H40N6NaO41S12
Molar mass
1,872.74 g/mol
HS code
292421
Category
Amines and amides

What is Orb1701876?

Plain description, key identifiers and synonyms

Orb1701876 is a chemical substance with the molecular formula C57H40N6NaO41S12 and a molar mass of 1,872.74 g/mol.

Identifiers

Registry numbers, names and line notations, tap to copy

Molecular formula
C57H40N6NaO41S12
InChIKey
RJWQTMJSJNVWPW-UHFFFAOYSA-N
InChI
InChI=1S/C57H40N6O41S12.Na/c64-53(60-37-1-5-41(109(81,82)83)33-15-29(105(69,70)71)19-45(49(33)37)113(93,94)95)23-9-24(54(65)61-38-2-6-42(110(84,85)86)34-16-30(106(72,73)74)20-46(50(34)38)114(96,97)98)12-27(11-23)58-57(68)59-28-13-25(55(66)62-39-3-7-43(111(87,88)89)35-17-31(107(75,76)77)21-47(51(35)39)115(99,100)101)10-26(14-28)56(67)63-40-4-8-44(112(90,91)92)36-18-32(108(78,79)80)22-48(52(36)40)116(102,103)104;/h1-22H,(H,60,64)(H,61,65)(H,62,66)(H,63,67)(H2,58,59,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104);
SMILES (canonical and isomeric)
C1=CC(=C2C=C(C=C(C2=C1NC(=O)C3=CC(=CC(=C3)NC(=O)NC4=CC(=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC9=C1C(=CC(=CC1=C(C=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

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
1,872.74 g/molcalc.
Exact mass
1,870.7776 Dacalc.
LogP (octanol/water)
3.53calc.
Topological polar surface area
810 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
29calc.
Rotatable bonds
22calc.
Heavy atoms
117calc.
Rings
10calc.
Aromatic rings
10calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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(Nc1cc(C(=O)Nc2cccc3ccccc23)cc(C(=O)Nc2cccc3ccccc23)c1)Nc1cc(C(=O)Nc2cccc3ccccc23)cc(C(=O)Nc2cccc3ccccc23)c1

O=C(Nc1cc(C(=O)Nc2cccc3ccccc23)cc(C(=O)Nc2cccc3ccccc23)c1)Nc1cc(C(=O)Nc2cccc3ccccc23)cc(C(=O)Nc2cccc3ccccc23)c1

10 rings, 68 atoms.

2 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.

Orb1701876 suppliers

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Orb1701876 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 Orb1701876 is traded under.

HS 2924.21Indicative HS code

Ureines and their derivatives, salts thereof

World exports in 2024
$149M
+12.5% vs 2023, imports $208M
2019 to 2024
Top exporters
  1. Germany25.4%
  2. China14.4%
  3. Israel12.0%
Top importers
  1. Brazil28.2%
  2. United States14.0%
  3. Japan10.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1701876 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1701876, based on the data on this page

What is Orb1701876?

Orb1701876 is a chemical substance with the molecular formula C57H40N6NaO41S12 and a molar mass of 1,872.74 g/mol.

What is the molecular formula and weight of Orb1701876?

The molecular formula of Orb1701876 is C57H40N6NaO41S12 and its molar mass is 1,872.74 g/mol.

Is Orb1701876 hazardous?

No GHS hazard classification for Orb1701876 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 Orb1701876?

Orb1701876 is usually classified under HS code 292421 (Ureines and their derivatives, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1701876?

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What is the price of Orb1701876?

Suppliers quote Orb1701876 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

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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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