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Impurities and reference standards

Deptropine

Also known as Dibenzheptropine, Deptropina, Deptropinum

CAS 604-51-3Formula C23H27NOMolar mass 333.48 g/molEC 210-069-0
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Deptropine chemical structure, C23H27NO, CAS 604-51-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
604-51-3
Formula
C23H27NO
Molar mass
333.48 g/mol
EC number
210-069-0
HS code
293399
Category
Impurities and reference standards

What is Deptropine?

Plain description, key identifiers and synonyms

Deptropine is an azabicycloalkane that is the 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ether of tropine. It has a role as a H1-receptor antagonist, a muscarinic antagonist and a parasympatholytic. It is an ether and an azabicycloalkane. It is functionally related to a tropine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,5S)-8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
CAS number
604-51-3 CAS number cross-checked
EC number
210-069-0
Molecular formula
C23H27NO
UNII
AY31301GKG
InChIKey
ZWPODSUQWXAZNC-YOFSQIOKSA-N
InChI
InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
Canonical SMILES
CN1C2CCC1CC(OC1c3ccccc3CCc3ccccc31)C2
Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35

Synonyms

  • Dibenzheptropine
  • Deptropina
  • Deptropinum
  • 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane
  • (1R,5S)-8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
  • endo-3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-1alphaH,5alphaH-tropane
  • (3-endo)-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane
  • 8-Azabicyclo(3.2.1)octane, 3-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-methyl-, (3-endo)-
  • endo-3-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
  • 8-Azabicyclo(3.2.1)octane, 3-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-methyl-, endo-
  • endo-3-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-8-methyl-8-azabicyclo(3.2.1)octane
  • Deptropine Citrate EP Impurity B
  • Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)oxy)-
  • 1alphaH,5alphaH-Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-
  • 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane
  • Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-
  • (1R,3r,5S)-3-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
  • (1R,3s,5S)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen- 5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane (pseudodeptropine)
  • (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1'',2''-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane, 2-hydroxypropane-1,2,3-tricarboxylic acid
  • (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1'',2''-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane, 2-oxidanylpropane-1,2,3-tricarboxylic acid
  • (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane
  • 1.Alpha.h,5.alpha.h-tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-
  • 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-1.alpha.h,5.alpha.h-tropane
  • citric acid, (1S,5R)-3-(6,11-dihydro-5H-dibenzo[1,2-a:1'',2''-e]cyclohepten-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane

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
333.48 g/molcalc.
Exact mass
333.2093 Dacalc.
LogP (octanol/water)
4.52calc.
Topological polar surface area
12.47 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
3calc.
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)CCc1ccccc1C2OC1CC2CCC(C1)N2

c1ccc2c(c1)CCc1ccccc1C2OC1CC2CCC(C1)N2

5 rings, 24 atoms.

15 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.

Deptropine suppliers

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Deptropine 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

Use classes: Pharmaceuticals.

Roles

  • H1-receptor antagonist
  • antagonist
  • cholinergic antagonist
  • cholinergic drug
  • histamine antagonist
  • histaminergic drug
  • muscarinic antagonist
  • neurotransmitter agent
  • parasympatholytic
  • pharmaceutical

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

Frequently asked questions

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

What is Deptropine?

Deptropine is an azabicycloalkane that is the 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ether of tropine. It has a role as a H1-receptor antagonist, a muscarinic antagonist and a parasympatholytic. It is an ether and an azabicycloalkane. It is functionally related to a tropine.

What is the CAS number of Deptropine?

The CAS registry number of Deptropine is 604-51-3.

What is the molecular formula and weight of Deptropine?

The molecular formula of Deptropine is C23H27NO and its molar mass is 333.48 g/mol.

What is Deptropine used for?

Use classes: Pharmaceuticals.

Is Deptropine hazardous?

No GHS hazard classification for Deptropine 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 Deptropine?

Deptropine 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 Deptropine?

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What is the price of Deptropine?

Suppliers quote Deptropine 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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