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Screening compounds

Cephaeline

Also known as Cephaelin, (-)-Cephaeline, (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol

CAS 483-17-0Formula C28H38N2O4Molar mass 466.62 g/molEC 207-591-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 4 suppliers listed
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Cephaeline chemical structure, C28H38N2O4, CAS 483-17-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
483-17-0
Formula
C28H38N2O4
Molar mass
466.62 g/mol
EC number
207-591-6
HS code
293349
Category
Screening compounds

What is Cephaeline?

Plain description, key identifiers and synonyms

Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. It is a conjugate base of a cephaeline(2+). It derives from a hydride of an emetan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
CAS number
483-17-0 CAS number cross-checkedOther or deprecated CAS: 5483-17-0
EC number
207-591-6
Molecular formula
C28H38N2O4
UNII
QA971541A1
InChIKey
DTGZHCFJNDAHEN-OZEXIGSWSA-N
InChI
InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
Canonical SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21
Isomeric SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC

Synonyms

  • Cephaelin
  • (-)-Cephaeline
  • (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
  • cephaline
  • desmethyl-emetine
  • (1R)-1-(((2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo(a)quinolizin-2-yl)methyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
  • Cepheline
  • 7',10,11-Trimethoxyemetan-6'-ol
  • Dihydropsychotrine
  • Cephaelinel
  • Emetan-6'-ol, 7',10,11-trimethoxy-
  • 6'-O-demethylemetine
  • GNF-Pf-307
  • ACon1_001325
  • (1R)-1-{[(2S,3R,11bs)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bh-pyrido[2,1-a]isoquinolin-2-yl]methyl}-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
  • (1R)-1-(((2S,3R,11bs)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-1,2,3,4-tetrahydro-7-methoxy-6-isoquinolinol
  • (1R)-1-[[(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-1,2,3,4-tetrahydro-7-methoxy -6-isoquinolinol
  • (R)-1-(((2S,3R,11bS)-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)methyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
  • 6-Isoquinolinol, 1-(((2S,3R,11bs)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-1,2,3,4-tetrahydro-7-methoxy-, (1R)-

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
466.62 g/molcalc.
Exact mass
466.2832 Dacalc.
LogP (octanol/water)
4.64calc.
Topological polar surface area
63.19 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.57calc.
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, c1ccc2c(c1)CCNC2CC1CCN2CCc3ccccc3C2C1

c1ccc2c(c1)CCNC2CC1CCN2CCc3ccccc3C2C1

5 rings, 25 atoms.

47 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H330Fatal if inhaled.
Precautionary statements (14)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Cephaeline suppliers

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Where suppliers are based

4 suppliers in 2 countries

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Cephaeline 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

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Cephaeline and its salts, Ref no: 75, Annex ref: II/75

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cephaeline is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Cephaeline?

Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. It is a conjugate base of a cephaeline(2+). It derives from a hydride of an emetan.

What is the CAS number of Cephaeline?

The CAS registry number of Cephaeline is 483-17-0. Other or deprecated CAS numbers: 5483-17-0.

What is the molecular formula and weight of Cephaeline?

The molecular formula of Cephaeline is C28H38N2O4 and its molar mass is 466.62 g/mol.

What is Cephaeline used for?

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

Is Cephaeline hazardous?

Cephaeline carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cephaeline?

Cephaeline is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cephaeline?

CompoundList lists 4 suppliers of Cephaeline in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cephaeline?

Suppliers quote Cephaeline 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 Cephaeline

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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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