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Screening compounds

Aricine

Also known as Heterophylline, methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate, methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate

CAS 482-91-7Formula C22H26N2O4Molar mass 382.46 g/mol
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Aricine chemical structure, C22H26N2O4, CAS 482-91-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
482-91-7
Formula
C22H26N2O4
Molar mass
382.46 g/mol
HS code
293499
Category
Screening compounds

What is Aricine?

Plain description, key identifiers and synonyms

Aricine is a methyl ester and a yohimban alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
CAS number
482-91-7
Molecular formula
C22H26N2O4
UNII
BUW4ULQ00A
InChIKey
DTDADHMBRZKXSC-GKASHWOUSA-N
InChI
InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17-,20-/m0/s1
Canonical SMILES
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccc(OC)cc45)C3CC12
Isomeric SMILES
C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=C(C=C5)OC

Synonyms

  • Heterophylline
  • methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
  • methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
  • 16,17-didehydro-10-methoxy-19 alpha-methyloxayohimban-16-carboxylic acid
  • Heterophylline (Rauwolfia)
  • Methyl (4S,4aS,13bS,14aS)-10-methoxy-4-methyl-4a,5,7,8,13,13b,14,14a-octahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate
  • AricineDISCONTINUED
  • (19alpha,20.alpha.)-16,17-didehydro-10-methoxy-19-methyloxayohimban-16-carboxylic acid methyl ester
  • Oxayohimban-16-carboxylic acid, 16, 17-didehydro-10-methoxy-19-methyl-, methyl ester, (19alpha, 20alpha)-
  • Oxayohimban-16-carboxylic acid,17-didehydro-10-methoxy-19-methyl-, methyl ester, (19alpha,20alpha)-

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
382.46 g/molcalc.
Exact mass
382.1893 Dacalc.
LogP (octanol/water)
3.19calc.
Topological polar surface area
63.79 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
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=CC2CC3c4[nH]c5ccccc5c4CCN3CC2CO1

C1=CC2CC3c4[nH]c5ccccc5c4CCN3CC2CO1

5 rings, 21 atoms.

65 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.

Aricine suppliers

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Aricine 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 Aricine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Aricine?

Aricine is a methyl ester and a yohimban alkaloid.

What is the CAS number of Aricine?

The CAS registry number of Aricine is 482-91-7.

What is the molecular formula and weight of Aricine?

The molecular formula of Aricine is C22H26N2O4 and its molar mass is 382.46 g/mol.

What is Aricine used for?

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

Is Aricine hazardous?

No GHS hazard classification for Aricine 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 Aricine?

Aricine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aricine?

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

What is the price of Aricine?

Suppliers quote Aricine 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 Aricine

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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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