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Screening compounds

Brontisol

Also known as Brontin (Porontine), Brontin, Elargin

Formula C29H35NO8Molar mass 525.60 g/molEC 218-516-1
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Brontisol chemical structure, C29H35NO8
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C29H35NO8
Molar mass
525.60 g/mol
EC number
218-516-1
HS code
293399
Category
Screening compounds

What is Brontisol?

Plain description, key identifiers and synonyms

Brontisol is a chemical substance with the molecular formula C29H35NO8 and a molar mass of 525.60 g/mol. The IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid, 8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxypropane-1,2,3-tricarboxylic acid, 8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
EC number
218-516-1
Molecular formula
C29H35NO8
InChIKey
CHQGYMXXKZPWOI-UHFFFAOYSA-N
InChI
InChI=1S/C23H27NO.C6H8O7/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-9,18-20,23H,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES (canonical and isomeric)
CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Synonyms

  • Brontin (Porontine)
  • Brontin
  • Elargin
  • Elargyl
  • SU-Brontine
  • 2-hydroxypropane-1,2,3-tricarboxylic acid, 8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
  • Deptropine citrate CRS
  • (1R,3r,5S)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane dihydrogen citrate
  • B. S. 6987
  • 3-alpha-[(10,d]cyclohepten-5-yl)oxy]tropan dihydrogen citrate
  • 1-alpha-H, 3-alpha-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, citrate (1:1)
  • 1alphaH, 3alpha-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, citrate (1:1)
  • 8-Azabicyclo[3.2.1]octane,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

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
525.60 g/molcalc.
Exact mass
525.2363 Dacalc.
LogP (octanol/water)
3.27calc.
Topological polar surface area
144.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
38calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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, c1ccc2c(c1)CCc1ccccc1C2OC1CC2CCC(C1)N2

c1ccc2c(c1)CCc1ccccc1C2OC1CC2CCC(C1)N2

5 rings, 24 atoms.

15 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.

Brontisol suppliers

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Brontisol 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

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 Brontisol is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Brontisol?

Brontisol is a chemical substance with the molecular formula C29H35NO8 and a molar mass of 525.60 g/mol. The IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid, 8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane.

What is the molecular formula and weight of Brontisol?

The molecular formula of Brontisol is C29H35NO8 and its molar mass is 525.60 g/mol.

What is Brontisol used for?

Known uses and roles of Brontisol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Brontisol hazardous?

No GHS hazard classification for Brontisol 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 Brontisol?

Brontisol is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brontisol?

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What is the price of Brontisol?

Suppliers quote Brontisol 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 Brontisol

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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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