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Screening compounds

Drupacine

Also known as (1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-ol, (1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo(11.7.1.02,10.04,8.011,15.015,19)henicosa-2,4(8),9-trien-12-ol, Cephalotaxine, 2,11-epoxy-1,2-dihydro-, (2alpha,11alpha)-

CAS 49686-57-9Formula C18H21NO5Molar mass 331.37 g/mol
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Drupacine chemical structure, C18H21NO5, CAS 49686-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
49686-57-9
Formula
C18H21NO5
Molar mass
331.37 g/mol
HS code
293499
Category
Screening compounds

What is Drupacine?

Plain description, key identifiers and synonyms

Cephalotaxine, 2,11-epoxy-1,2-dihydro-, (2alpha,11alpha)- has been reported in Cephalotaxus fortunei and Cephalotaxus hainanensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-ol
CAS number
49686-57-9
Molecular formula
C18H21NO5
InChIKey
KYTDBKDWDOVRLJ-FLXSYLCISA-N
InChI
InChI=1S/C18H21NO5/c1-21-18-8-17-3-2-4-19(17)7-14(24-18)10-5-12-13(23-9-22-12)6-11(10)15(17)16(18)20/h5-6,14-16,20H,2-4,7-9H2,1H3/t14-,15+,16-,17-,18+/m0/s1
Canonical SMILES
COC12CC34CCCN3CC(O1)c1cc3c(cc1C4C2O)OCO3
Isomeric SMILES
CO[C@]12C[C@]34CCCN3C[C@H](O1)C5=CC6=C(C=C5[C@@H]4[C@@H]2O)OCO6

Synonyms

  • (1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-ol
  • (1R,11S,12S,13R,15S)-13-methoxy-5,7,21-trioxa-19-azahexacyclo(11.7.1.02,10.04,8.011,15.015,19)henicosa-2,4(8),9-trien-12-ol
  • Cephalotaxine, 2,11-epoxy-1,2-dihydro-, (2alpha,11alpha)-
  • (2alpha,11alpha)-2,11-Epoxy-1,2-dihydrocephalotaxine
  • (2|A,11|A)-2,11-Epoxy-1,2-dihydrocephalotaxine
  • (6R,11bS,12S,13R,14aS)-13-Methoxy-2,3,5,6,11b,12,13,14-octahydro-1H-6,13-epoxy[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-12-ol

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
331.37 g/molcalc.
Exact mass
331.142 Dacalc.
LogP (octanol/water)
1.53calc.
Topological polar surface area
60.39 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1c2c(cc3c1C1CN4CCCC45CC(CC35)O1)OCO2

c1c2c(cc3c1C1CN4CCCC45CC(CC35)O1)OCO2

7 rings, 21 atoms.

4 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.

Drupacine suppliers

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

Frequently asked questions

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

What is Drupacine?

Cephalotaxine, 2,11-epoxy-1,2-dihydro-, (2alpha,11alpha)- has been reported in Cephalotaxus fortunei and Cephalotaxus hainanensis.

What is the CAS number of Drupacine?

The CAS registry number of Drupacine is 49686-57-9.

What is the molecular formula and weight of Drupacine?

The molecular formula of Drupacine is C18H21NO5 and its molar mass is 331.37 g/mol.

What is Drupacine used for?

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

Is Drupacine hazardous?

No GHS hazard classification for Drupacine 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 Drupacine?

Drupacine 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 Drupacine?

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

What is the price of Drupacine?

Suppliers quote Drupacine 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 Drupacine

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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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