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Heterocyclic building blocks

Macrophylline

Also known as [(1S,2R,8R)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate, [(1S,2R,7aR)-2-hydroxy-hexahydro-1H-pyrrolizin-1-yl]methyl (2Z)-2-methylbut-2-enoate, (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aR)-hexahydro-2beta-hydroxy-1H-pyrrolizin-1beta-yl]methyl ester

CAS 27841-97-0Formula C13H21NO3Molar mass 239.32 g/mol
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Macrophylline chemical structure, C13H21NO3, CAS 27841-97-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
27841-97-0
Formula
C13H21NO3
Molar mass
239.32 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Macrophylline?

Plain description, key identifiers and synonyms

Macrophylline is a member of pyrrolizines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,8R)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate
CAS number
27841-97-0
Molecular formula
C13H21NO3
UNII
92GE6XN566
InChIKey
LVZCTOQMFLAKLI-CSZIUDOQSA-N
InChI
InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1
Canonical SMILES
CC=C(C)C(=O)OCC1C(O)CN2CCCC12
Isomeric SMILES
C/C=C(/C)\C(=O)OC[C@@H]1[C@H]2CCCN2C[C@@H]1O

Synonyms

  • [(1S,2R,8R)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate
  • [(1S,2R,7aR)-2-hydroxy-hexahydro-1H-pyrrolizin-1-yl]methyl (2Z)-2-methylbut-2-enoate
  • (Z)-2-Methyl-2-butenoic acid [(1S,2R,7aR)-hexahydro-2beta-hydroxy-1H-pyrrolizin-1beta-yl]methyl ester
  • [(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate
  • Macrophylline (Senecio)
  • Macrophyllin
  • [(1S,2R,7aR)-2-Hydroxyhexahydro-1H-pyrrolizin-1-yl]methyl (2Z)-2-methylbut-2-enoate
  • 2-Butenoic acid, 2-methyl-, (hexahydro-2-hydroxy-1H-pyrrolizin-1-yl)methyl ester, [1S-[1alpha(Z),2alpha,7aalpha]]-
  • 2-Butenoic acid, 2-methyl-, [(1S,2R,7aR)-hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl ester, (2Z)-

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
239.32 g/molcalc.
Exact mass
239.1521 Dacalc.
LogP (octanol/water)
0.95calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C1CC2CCCN2C1

C1CC2CCCN2C1

2 rings, 8 atoms, the Pyrrolizidine ring system.

386 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.

Macrophylline suppliers

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

Frequently asked questions

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

What is Macrophylline?

Macrophylline is a member of pyrrolizines.

What is the CAS number of Macrophylline?

The CAS registry number of Macrophylline is 27841-97-0.

What is the molecular formula and weight of Macrophylline?

The molecular formula of Macrophylline is C13H21NO3 and its molar mass is 239.32 g/mol.

What is Macrophylline used for?

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

Is Macrophylline hazardous?

No GHS hazard classification for Macrophylline 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 Macrophylline?

Macrophylline 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 Macrophylline?

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

What is the price of Macrophylline?

Suppliers quote Macrophylline 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 Macrophylline

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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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