Metazocine, trans-(+)-
PubChem CID
60196313
Structure
Molecular Formula
Synonyms
- trans-(+)-Metazocine
- Metazocine, trans-(+)-
- beta-(+)-Metazocine
- UNII-DO58803COP
- DO58803COP
Molecular Weight
231.33 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2012-10-06
- Modify:2025-01-04
Description
Metazocine is a DEA Schedule II controlled substance. Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence. It is a Opiates substance.
Chemical Structure Depiction
(1S,9S,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15-/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
YGSVZRIZCHZUHB-LKTVYLICSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[C@H]1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H21NO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
25144-79-0
64023-94-5
3734-52-9
1509-00-8, 36402-80-9, 58640-79-2, 75257-89-5
9240 (DEA schedule II controlled substance)
- 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-ol
- metazocine
- trans-(+)-Metazocine
- Metazocine, trans-(+)-
- beta-(+)-Metazocine
- UNII-DO58803COP
- DO58803COP
- Metazocine (2S,6S,11R)-form [MI]
- 64023-94-5
- .BETA.-(+)-METAZOCINE
- METAZOCINE
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2S-(2alpha,6alpha,11S*))-
- 2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-3,6,11-TRIMETHYL-, (2S-(2.ALPHA.,6.ALPHA.,11S*))-
- (+-)-Metazocine
- 2AO0073XHO
- UNII-2AO0073XHO
- 1,2,3,4,5,6-Hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-ol
- 25144-79-0
- Metazocine, (+/-)-
- CHEMBL3307199
- METAZOCINE (2S,6S,11R)-FORM
- Q27276508
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, trans-
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-, (2alpha,6alpha,11R*)-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
231.33 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
231.162314293 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
231.162314293 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
23.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
305
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
3
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Substance
Metazocine
DEA Controlled Substances Code Number
9240
Controlled Substances Act Schedule
Schedule II - Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence.
Class
Opiates
DEA Controlled Substances
DEA schedule II controlled substance
21 CFR Sections 1308.11-1308.15 https://www.ecfr.gov/current/title-21/chapter-II/part-1308
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusMetazocine, trans-(+)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0064023945ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingMETAZOCINE, TRANS-(+)-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DO58803COP
- Drug Enforcement Administration (DEA)LICENSEUnless otherwise indicated, information on Department of Justice websites is in the public domain and may be copied and distributed without permission. Citation of the Department of Justice as source of the information is appreciated, as appropriate.https://www.justice.gov/legalpoliciesDEA drug and chemical classificationhttps://www.dea.gov/drug-information/drug-scheduling
- Metabolomics Workbench
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- PharosLICENSEData accessed from Pharos and TCRD is publicly available from the primary sources listed above. Please respect their individual licenses regarding proper use and redistribution.https://pharos.nih.gov/about
- Wikidatatrans-(+)-metazocinehttps://www.wikidata.org/wiki/Q27276508
- WikipediaMetazocinehttps://en.wikipedia.org/wiki/Metazocine
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- NCBI
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