Pentazocine hydrochloride , Sigma opioid receptor modulator, CAS No.22205-05-6, Sigma opioid receptor modulator

CAS: 22205-05-6 Cat. No.: P670979 Molecular Weight: 321.9
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Synonyms
DTXSID70944866 | SCHEMBL40964 | Pentazocinhydrochlorid | 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, hydrochloride | CHEMBL3989510 | EINECS 218-896-9 | OQGYMIIFOSJQSF-UHFFFAOYSA-N | 1,2,3,4,5,6-Hexahydro-6,1
Storage
Room temperature
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Size
Status
Price
Qty
1mg
P670979-1mg
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$999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID70944866 | SCHEMBL40964 | Pentazocinhydrochlorid | 2, 6-Methano-3-benzazocin-8-ol, 1, 2, 3, 4, 5, 6-hexahydro-6, 11-dimethyl-3-(3-methyl-2-butenyl)-, hydrochloride | CHEMBL3989510 | EINECS 218-896-9 | OQGYMIIFOSJQSF-UHFFFAOYSA-N | 1, 2, 3, 4, 5, 6-Hexahydro-6, 1
Storage
Room temperature
Action Type
MODULATOR
Mechanism of action
Sigma opioid receptor modulator
Names and Identifiers
Canonical SmilesCC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
IUPAC Name1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
InChIKeyOQGYMIIFOSJQSF-UHFFFAOYSA-N
INCHI1S/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H
Isomeric SMILES CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
Molecular Weight 321.9
Reaxy-Rn 4280523
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4280523&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
Class6,7-benzomorphans
Subclass2,6-dimethyl-3-benzazocines
Intermediate Tree Nodes Not available
Direct Parent2,6-dimethyl-3-benzazocines
Alternative Parents 4-hydroxy-6,7-benzomorphans  Benzazocines  Tetralins  Aralkylamines  1-hydroxy-2-unsubstituted benzenoids  Piperidines  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2,6-dimethyl-3-benzazocine - 4-hydroxy-6,7-benzomorphan - Benzazocine - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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