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Alkaloids

(+)-Dicentrine

Also known as Dicentrine, d-Dicentrine, Eximine

CAS 517-66-8Formula C20H21NO4Molar mass 339.39 g/mol
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(+)-Dicentrine chemical structure, C20H21NO4, CAS 517-66-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
517-66-8
Formula
C20H21NO4
Molar mass
339.39 g/mol
HS code
293979
Category
Alkaloids

What is (+)-Dicentrine?

Plain description, key identifiers and synonyms

Dicentrine is an aporphine alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
CAS number
517-66-8 CAS number cross-checked
Molecular formula
C20H21NO4
UNII
J2ZGT5M0N7
MDL number
MFCD00210492
InChIKey
YJWBWQWUHVXPNC-AWEZNQCLSA-N
InChI
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
Canonical SMILES
COc1cc2c(cc1OC)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3
Isomeric SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3

Synonyms

  • Dicentrine
  • d-Dicentrine
  • Eximine
  • O,N-Dimethyllitseferine
  • (12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
  • (12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaene
  • 5H-1,3-Benzodioxolo(6,5,4-de)benzo(g)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aS)-
  • Dicentrin
  • Dicentrine-(+)
  • 1,2-Methylenedioxy-9,10-dimethoxyaporphine
  • 9,10-Dimethoxy-1,2-(methylenedioxy)-6aalpha-aporphine
  • 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-
  • 9,10-Dimethoxy-1,2-(methylenedioxy)aporphine
  • 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-
  • (R)-(-)-Dicentrine, L-Dicentrine, NSC 251699
  • Dicentrine, (+)-
  • 4-27-00-06486 (Beilstein Handbook Reference)
  • 9,2-(methylenedioxy)aporphine
  • Dicentrine D-form
  • 6aalpha-Aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)-
  • 6a-alpha-Aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)-
  • 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)- (9CI)
  • 6aalpha-Aporphine,10-dimethoxy-1,2-(methylenedioxy)-
  • 5H-Benzo[g]-1,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)-
  • (7aS)-10,11-Dimethoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline
Show all 27 synonyms
  • 10,11-Dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline-, (S)-
  • 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7as)-

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
339.39 g/molcalc.
Exact mass
339.1471 Dacalc.
LogP (octanol/water)
3.18calc.
Topological polar surface area
40.16 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
1calc.
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)CC1NCCc3cc4c(c-2c31)OCO4

c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

5 rings, 20 atoms.

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.

(+)-Dicentrine suppliers

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Where suppliers are based

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(+)-Dicentrine 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

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 (+)-Dicentrine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about (+)-Dicentrine, based on the data on this page

What is (+)-Dicentrine?

Dicentrine is an aporphine alkaloid.

What is the CAS number of (+)-Dicentrine?

The CAS registry number of (+)-Dicentrine is 517-66-8.

What is the molecular formula and weight of (+)-Dicentrine?

The molecular formula of (+)-Dicentrine is C20H21NO4 and its molar mass is 339.39 g/mol.

Is (+)-Dicentrine hazardous?

No GHS hazard classification for (+)-Dicentrine 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 (+)-Dicentrine?

(+)-Dicentrine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (+)-Dicentrine?

CompoundList lists 1 supplier of (+)-Dicentrine 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 (+)-Dicentrine?

Suppliers quote (+)-Dicentrine 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

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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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