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Heterocyclic building blocks

Dallergy

Also known as Dehistine, Extendryl, Scophist

CAS 956596-09-1Formula C43H56ClN4O6+Molar mass 760.40 g/mol
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Dallergy chemical structure, C43H56ClN4O6+, CAS 956596-09-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
956596-09-1
Formula
C43H56ClN4O6+
Molar mass
760.40 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Dallergy?

Plain description, key identifiers and synonyms

Dallergy is a chemical substance with the molecular formula C43H56ClN4O6+ and a molar mass of 760.40 g/mol. Its CAS registry number is 956596-09-1. The IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine, [(1S,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate, 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine, [(1S,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate, 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
CAS number
956596-09-1
Molecular formula
C43H56ClN4O6+
InChIKey
GMBYRECIACINKD-GFAZQMFJSA-N
InChI
InChI=1S/C18H24NO4.C16H19ClN2.C9H13NO2/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;1-10-6-9(12)7-3-2-4-8(11)5-7/h3-7,12-17,20H,8-10H2,1-2H3;3-9,11,15H,10,12H2,1-2H3;2-5,9-12H,6H2,1H3/q+1;;/t12?,13-,14-,15+,16?,17?;;9-/m1.0/s1
Canonical SMILES
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.CNCC(O)c1cccc(O)c1.C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
Isomeric SMILES
CNC[C@@H](C1=CC(=CC=C1)O)O.CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C

Synonyms

  • Dehistine
  • Extendryl
  • Scophist
  • Drymax
  • Chlorpheniramine / methscopolamine / phenylephrine
  • Chlorpheniramine maleate / methscopolamine nitrate / phenylephrine hcl

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
760.40 g/molcalc.
Exact mass
759.3883 Dacalc.
LogP (octanol/water)
5.53calc.
Topological polar surface area
127.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
12calc.
Heavy atoms
54calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.44calc.
Formal charge
1calc.
Stereocentres
8calc.
Components
3calc.
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, O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21

O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21

4 rings, 19 atoms.

88 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.

Dallergy suppliers

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

Frequently asked questions

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

What is Dallergy?

Dallergy is a chemical substance with the molecular formula C43H56ClN4O6+ and a molar mass of 760.40 g/mol. Its CAS registry number is 956596-09-1.

What is the CAS number of Dallergy?

The CAS registry number of Dallergy is 956596-09-1.

What is the molecular formula and weight of Dallergy?

The molecular formula of Dallergy is C43H56ClN4O6+ and its molar mass is 760.40 g/mol.

What is Dallergy used for?

Known uses and roles of Dallergy include building blocks in research and laboratory.

Is Dallergy hazardous?

No GHS hazard classification for Dallergy 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 Dallergy?

Dallergy 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 Dallergy?

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What is the price of Dallergy?

Suppliers quote Dallergy 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 Dallergy

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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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