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Heterocyclic building blocks

Dizocilpine

Also known as Dizocilpina, Dizocilpinum, 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S)-

CAS 77086-21-6Formula C16H15NMolar mass 221.30 g/mol
23 suppliers listed
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Dizocilpine chemical structure, C16H15N, CAS 77086-21-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77086-21-6
Formula
C16H15N
Appearance
White solid from cyclohexane
Melting point
68.5 to 69 °C
HS code
293399
Category
Heterocyclic building blocks
Illustrative photo, white powder in an open fibre drum in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Dizocilpine?

Plain description, key identifiers and synonyms

Dizocilpine is an organic heterotetracyclic compound that is 1-methyl-8-azabicyclo[3.2.1]octane ortho-fused to two benzene rings at positions 2-3 and 6-7 (the 5S,10R-stereoisomer). It is a non-competitive antagonist of the N-methyl-D-aspartate (NMDA) receptor and affects cognitive function, learning, and memory. It has a role as an anticonvulsant, an anaesthetic, a nicotinic antagonist, a NMDA receptor antagonist and a neuroprotective agent. It is a tetracyclic antidepressant and a secondary amino compound. It is a conjugate base of a dizocilpine(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CAS number
77086-21-6 CAS number cross-checkedOther or deprecated CAS: 77086-22-7
Molecular formula
C16H15N
UNII
7PY8KH681I
MDL number
MFCD06412575
InChIKey
LBOJYSIDWZQNJS-CVEARBPZSA-N
InChI
InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
Canonical SMILES
CC12NC(Cc3ccccc31)c1ccccc12
Isomeric SMILES
C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24

Synonyms

  • Dizocilpina
  • Dizocilpinum
  • 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S)-
  • (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
  • (1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
  • MK-801 (Dizocilpine)
  • (Rac)-Dizocilpine
  • (+)-MK-801
  • (Rac)-MK-801
  • dizocilpine-(+)
  • (+)MK-801
  • (+/-)-MK801
  • Dizocilpine free base?
  • Biomol-NT_000210
  • 10,11-Dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine.(MK-801)
  • (5S,10R)-(+)-5-methyl-10,11-dihydro-5Hdibenzo[a,d]cyclohepten-5,10-imine
  • (5S,10S)-(+)-5-methyl-10,11-dihydro-5Hdibenzo[a,d]cyclohepten-5,10-imine
  • 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
  • 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
  • 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
  • (+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
  • (+/-) MK-8011-methyl-(9R,1R)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
  • (+/-)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
  • (-)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene
  • (1S,9R)-1-methyl-16-azatetracyclo[7.6.1.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10(15),11,13-hexaene
Show all 27 synonyms
  • (1S,9R)-1-methyl-16-azatetracyclo[7.6.1.0^{2,7}.0^{10,15}]hexadeca-2,4,6,10(15),11,13-hexaene
  • (Dizocilpine)1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10(15),11,13-hexaene

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

Appearance
White solid from cyclohexaneexp.
Melting point
68.5 to 69 °Cexp.

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
221.30 g/molcalc.
Exact mass
221.1204 Dacalc.
LogP (octanol/water)
3.15calc.
Topological polar surface area
12.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
17calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
2calc.
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)CC1NC2c2ccccc21

c1ccc2c(c1)CC1NC2c2ccccc21

4 rings, 16 atoms, the 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-, (±)- ring system.

37 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.

Dizocilpine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 23 suppliers
23 of 23 offers

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Where suppliers are based

23 suppliers in 7 countries

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Dizocilpine 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

N-methyl-D-aspartate (NMDA) receptor open channel blocker used to elicit schizophrenia-like symptoms in animal models.

Dizocilpine is a noncompetitive antagonist of NMDA (N-methyl-D-aspartic acid) receptors with protective effects against ischemia-induced neuronal degeneration. It shows anticonvulsant activity in animal models and has been clinically evaluated in attention-deficit disorders.

Biochemical probe for NMDA receptors.

Roles

  • NMDA receptor antagonist
  • anaesthetic
  • antagonist
  • anticonvulsant
  • central nervous system depressant
  • central nervous system drug
  • cholinergic antagonist
  • cholinergic drug
  • excitatory amino acid antagonist
  • neuroprotective agent
  • neurotransmitter agent
  • nicotinic antagonist
  • pharmaceutical
  • protective agent

How it is made

Anderson P, et al, US 4399141 (1980, 1938 both to Merck & Co)

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

Frequently asked questions

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

What is Dizocilpine?

Dizocilpine is an organic heterotetracyclic compound that is 1-methyl-8-azabicyclo[3.2.1]octane ortho-fused to two benzene rings at positions 2-3 and 6-7 (the 5S,10R-stereoisomer). It is a non-competitive antagonist of the N-methyl-D-aspartate (NMDA) receptor and affects cognitive function, learning, and memory.

What is the CAS number of Dizocilpine?

The CAS registry number of Dizocilpine is 77086-21-6. Other or deprecated CAS numbers: 77086-22-7.

What is the molecular formula and weight of Dizocilpine?

The molecular formula of Dizocilpine is C16H15N and its molar mass is 221.30 g/mol.

What is Dizocilpine used for?

N-methyl-D-aspartate (NMDA) receptor open channel blocker used to elicit schizophrenia-like symptoms in animal models. Dizocilpine is a noncompetitive antagonist of NMDA (N-methyl-D-aspartic acid) receptors with protective effects against ischemia-induced neuronal degeneration.

Is Dizocilpine hazardous?

No GHS hazard classification for Dizocilpine 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 Dizocilpine?

Dizocilpine 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 Dizocilpine?

CompoundList lists 23 suppliers of Dizocilpine in China, United States, United Kingdom, Spain and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dizocilpine?

Suppliers quote Dizocilpine 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 Dizocilpine

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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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