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Chemical substance record

Dizocilpine

77086-21-6C16H15N221.303 g/mol
Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number77086-21-6ChEBI ↗
Molecular formulaC16H15NChEBI ↗
Molar mass221.303 g/molChEBI ↗
Monoisotopic mass221.12045 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:34725ChEBI ↗

Cross-source molecular data

PubChem
Molar mass221.30 g/molPubChem ↗
Exact mass221.120449483 DaPubChem ↗
Computed XLogP2.8PubChem ↗
Topological polar surface area (Ų)12PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds0PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
dizocilpine
(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
LBOJYSIDWZQNJS-CVEARBPZSA-N
[H][C@]12Cc3ccccc3[C@](C)(N1)c1ccccc12
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

Names & synonyms

(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulenedizocilpinadizocilpinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
tetracyclic antidepressantChEBI parent class · 50940 ↗secondary amino compoundChEBI parent class · 50995 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

anticonvulsantanaestheticnicotinic antagonistNMDA receptor antagonistneuroprotective agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00451869 mol

Uses 221.303 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 16 atoms
86.84%
H
Hydrogen · 15 atoms
6.83%
N
Nitrogen · 1 atom
6.33%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Cryo-EM structures of the triheteromeric NMDA receptor and its allosteric modulation. ↗Science (New York, N.Y.) · 2017 Mar 24 · PMID 28232581
Convergent Strategy to Dizocilpine MK-801 and Derivatives. ↗The Journal of organic chemistry · 2018 Apr 6 · PMID 29489358
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:34725

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 180081 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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