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Acid, base and phase-transfer catalysts

Phellodendrine

Also known as Phallodendrin, (-)-Phellodendrine, (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol

CAS 6873-13-8Formula C20H24NO4+Molar mass 342.42 g/mol
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Phellodendrine chemical structure, C20H24NO4+, CAS 6873-13-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6873-13-8
Formula
C20H24NO4+
Molar mass
342.42 g/mol
HS code
293399
Category
Acid, base and phase-transfer catalysts

What is Phellodendrine?

Plain description, key identifiers and synonyms

Phellodendrine is an alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol
CAS number
6873-13-8 CAS number cross-checked
Molecular formula
C20H24NO4+
UNII
AR68S526RB
InChIKey
RBBVPNQTBKHOEQ-KKSFZXQISA-O
InChI
InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1
Canonical SMILES
COc1cc2c(cc1O)CC1c3cc(O)c(OC)cc3CC[N+]1(C)C2
Isomeric SMILES
C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC

Synonyms

  • Phallodendrin
  • (-)-Phellodendrine
  • (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol
  • pellodendrine
  • (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinolin-7-ium-2,11-diol
  • OB-5 Compound
  • 6H-Dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-2,11-dihydroxy-3,10-dimethoxy-7-methyl-, (7S-cis)-
  • N-Methylcoreximine
  • PhellodendrineDISCONTINUED. Please see P294565
  • (7S,13aS)-2,11-Dihydroxy-3,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-7-ium
  • (7S,13aS)-5,8,13,13a-Tetrahydro-2,11-dihydroxy-3,10-dimethoxy-7-methyl-6H-dibenzo[a,g]quinolizinium
  • 6H-Dibenzo[a,g]quinolizinium, 5,8,13,13a-tetrahydro-2,11-dihydroxy-3,10-dimethoxy-7-methyl-, (7S,13aS)-

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
342.42 g/molcalc.
Exact mass
342.17 Dacalc.
LogP (octanol/water)
2.92calc.
Topological polar surface area
58.92 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
1calc.
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, c1ccc2c(c1)CC1c3ccccc3CCN1C2

c1ccc2c(c1)CC1c3ccccc3CCN1C2

4 rings, 18 atoms, the Tetrahydroprotoberberine ring system.

96 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.

Phellodendrine suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Phellodendrine price

Indicative price range per kg from live supplier offers

No published prices right now

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

Frequently asked questions

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

What is Phellodendrine?

Phellodendrine is an alkaloid.

What is the CAS number of Phellodendrine?

The CAS registry number of Phellodendrine is 6873-13-8.

What is the molecular formula and weight of Phellodendrine?

The molecular formula of Phellodendrine is C20H24NO4+ and its molar mass is 342.42 g/mol.

Is Phellodendrine hazardous?

No GHS hazard classification for Phellodendrine 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 Phellodendrine?

Phellodendrine 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 Phellodendrine?

CompoundList lists 1 supplier of Phellodendrine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Phellodendrine?

Suppliers quote Phellodendrine 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 Phellodendrine

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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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