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Screening compounds

Triangularine

Also known as 6-Angelyl-9-sarracinylretronecine, [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate, [(1R,7aR)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate

CAS 87340-27-0Formula C18H25NO5Molar mass 335.40 g/mol
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Triangularine chemical structure, C18H25NO5, CAS 87340-27-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87340-27-0
Formula
C18H25NO5
Molar mass
335.40 g/mol
HS code
293399
Category
Screening compounds

What is Triangularine?

Plain description, key identifiers and synonyms

Triangularine is a member of pyrrolizines and a but-2-enoate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
CAS number
87340-27-0 CAS number cross-checked
Molecular formula
C18H25NO5
UNII
Y6S2FAL66K
InChIKey
GOENJWUGVSLZDQ-NCLHDQKXSA-N
InChI
InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(=CC)CO)C12
Isomeric SMILES
C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO

Synonyms

  • 6-Angelyl-9-sarracinylretronecine
  • [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
  • [(1R,7aR)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate
  • 2-Butenoic acid, 2-(hydroxymethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methyl ester, (2Z)-
  • 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7ar)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-buten-1-yl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)-
  • 2-Butenoic acid, 2-(hydroxymethyl)-, (2,3,5,7a-tetrahydro-1-((2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (1r-(1alpha(Z),7(Z),7a.beta.))-
  • 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)-
  • 7-((Z)-2-Methylbut-2-enoyl)-9-((Z)-2-hydroxymethylbut-2-enoyl)retronecine

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
335.40 g/molcalc.
Exact mass
335.1733 Dacalc.
LogP (octanol/water)
1.36calc.
Topological polar surface area
76.07 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C1=CC2CCCN2C1

C1=CC2CCCN2C1

2 rings, 8 atoms, the 2,3,5,7A-Tetrahydro-1H-pyrrolizine ring system.

130 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.

Triangularine suppliers

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

Frequently asked questions

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

What is Triangularine?

Triangularine is a member of pyrrolizines and a but-2-enoate ester.

What is the CAS number of Triangularine?

The CAS registry number of Triangularine is 87340-27-0.

What is the molecular formula and weight of Triangularine?

The molecular formula of Triangularine is C18H25NO5 and its molar mass is 335.40 g/mol.

What is Triangularine used for?

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

Is Triangularine hazardous?

No GHS hazard classification for Triangularine 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 Triangularine?

Triangularine 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 Triangularine?

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What is the price of Triangularine?

Suppliers quote Triangularine 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 Triangularine

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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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