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Heterocyclic compounds

(Dhq)2phal

Also known as 1,4-Bis(dihydroquinine)phthalazine, Cinchonan, 9,9''-(1,4-phthalazinediylbis(oxy))bis(10,11-dihydro-6'-methoxy-, (8alpha,9R)-(8''.alpha.,9''r)-, Cinchonan, 9,9''-(1,4-phthalazinediylbis(oxy))bis(10,11-dihydro-6'-methoxy-, (8alpha,9R)-(8''alpha,9''R)-

CAS 140924-50-1Formula C48H54N6O4Molar mass 779.00 g/molEC 604-211-4
GHS signal word: Warning. Pictograms: Harmful or irritant 3 suppliers listed
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(Dhq)2phal chemical structure, C48H54N6O4, CAS 140924-50-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
140924-50-1
Formula
C48H54N6O4
Molar mass
779.00 g/mol
EC number
604-211-4
HS code
293349
Category
Heterocyclic compounds

What is (Dhq)2phal?

Plain description, key identifiers and synonyms

(Dhq)2phal is a chemical substance with the molecular formula C48H54N6O4 and a molar mass of 779.00 g/mol. Its CAS registry number is 140924-50-1. The IUPAC name is 1,4-bis[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,4-bis[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
CAS number
140924-50-1
EC number
604-211-4
Molecular formula
C48H54N6O4
UNII
KJI6YFS0C8
MDL number
MFCD28014549
InChIKey
YUCBLVFHJWOYDN-PDNPBWJSSA-N
InChI
InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31-,32-,43-,44-,45+,46+/m0/s1
Canonical SMILES
CCC1CN2CCC1CC2C(Oc1nnc(OC(c2ccnc3ccc(OC)cc23)C2CC3CCN2CC3CC)c2ccccc12)c1ccnc2ccc(OC)cc12
Isomeric SMILES
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)O[C@@H]([C@@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC

Synonyms

  • 1,4-Bis(dihydroquinine)phthalazine
  • Cinchonan, 9,9''-(1,4-phthalazinediylbis(oxy))bis(10,11-dihydro-6'-methoxy-, (8alpha,9R)-(8''.alpha.,9''r)-
  • Cinchonan, 9,9''-(1,4-phthalazinediylbis(oxy))bis(10,11-dihydro-6'-methoxy-, (8alpha,9R)-(8''alpha,9''R)-
  • Cinchonan, 9,9''-[1,4-phthalazinediylbis(oxy)]bis[10,11-dihydro-6'-methoxy-, (8alpha,9R)-(8''alpha,9''R)-
  • (DHQ)2-PHAL
  • Hydroquinine 1,4-phthalazinediyl diether
  • 1,4-Bis((R)-((1S,2S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine
  • AD-mix alpha
  • (3alpha)-6'-Methoxy-9-[(4-{[(4beta)-6'-methoxy-10,11-dihydrocinchonan-9-yl]oxy}phthalazin-1-yl)oxy]-10,11-dihydrocinchonan
  • (8Alpha,9R,8'''alpha,9'''r)-9,9'-[phthalazine-1,4-diylbis(oxy)]bis(6'-methoxy
  • 1,4-bis[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
  • 1,4-bis[(R)-[(2S,4S,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methoxy]phthalazine

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
779.00 g/molcalc.
Exact mass
778.4207 Dacalc.
LogP (octanol/water)
9.22calc.
Topological polar surface area
94.96 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
12calc.
Heavy atoms
58calc.
Rings
12calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 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(C(Oc3nnc(OC(c4ccnc5ccccc45)C4CC5CCN4CC5)c4ccccc34)C3CC4CCN3CC4)ccnc2c1

c1ccc2c(C(Oc3nnc(OC(c4ccnc5ccccc45)C4CC5CCN4CC5)c4ccccc34)C3CC4CCN3CC4)ccnc2c1

12 rings, 50 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H317May cause an allergic skin reaction.
Precautionary statements (8)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

(Dhq)2phal suppliers

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Where suppliers are based

3 suppliers in 2 countries

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(Dhq)2phal price

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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 (Dhq)2phal 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 (Dhq)2phal is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (Dhq)2phal, based on the data on this page

Is (Dhq)2phal hazardous?

(Dhq)2phal carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

Practical guides that help when you source, ship or handle (Dhq)2phal

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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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