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Small Molecules & Compound Libraries
Ligand families
Activin and Inhibin
2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;dihydrate , Mu opioid receptor agonist, CAS No.20831727, Mu opioid receptor agonist
2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;dihydrate , Mu opioid receptor agonist, CAS No.20831727, Mu opioid receptor agonist
Molecular Weight: 443.5
PubChem CID:
20831727
Basic Description
Synonyms
CHEMBL3989768
Action Type
AGONIST
Mechanism of action
Mu opioid receptor agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Morphinans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Morphinans
Alternative Parents
Phenanthrenes and derivatives Benzazocines Tetralins 1-hydroxy-2-unsubstituted benzenoids Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Piperidines Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Trialkylamines 1,2-diols Secondary alcohols Carboxylic acids Azacyclic compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Morphinan - Phenanthrene - Benzazocine - Tetralin - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Piperidine - Fatty acid - Benzenoid - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - 1,2-diol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;dihydrate
INCHI
InChI=1S/C17H23NO.C4H6O6.2H2O/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10;;/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t14-,16+,17+;;;/m0.../s1
InChIKey
UMZNDVASJKIQCB-SODJFYQGSA-N
Smiles
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O.O.O
Isomeric SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O.O.O
PubChem CID
20831727
Molecular Weight
443.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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