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Morphine - Compound Summary (CID: 5288826)

The principal alkaloid in opium and the prototype opiate analgesic and narcotic. Morphine has widespread effects in the central nervous system and on smooth muscle.


Drug and Chemical Information: (Total:1)         

Medication Information

Morphine is the most important alkaloid of opium and is a phenanthrene derivative. It is available as the sulfate salt, having the following structural formula: 7,8-Didehydro-4,5-epoxy-17-methyl-(5,6)-morphinan-3,6-diol sulfate (2:1)
DescriptionClinical PharmacologyIndication & Usage
ContraindicationsWarningsPrecautions
Adverse ReactionsOverdosageDosage & Administration
How Supplied
















Pharmacological Action

Analgesics, Opioid - Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.

Narcotics - Agents that induce NARCOSIS. This term is considered outdated due to imprecision but continues to be widely used. Originally, agents that ...


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Physiological Effects of Drugs
                  Central Nervous System Depressants
                        Narcotics
                  Peripheral Nervous System Agents
                        Sensory System Agents
                              Analgesics
                                    Analgesics, Opioid
                                    Narcotics
            Therapeutic Uses
                  Central Nervous System Agents
                        Analgesics
                              Analgesics, Opioid
                              Narcotics
                        Central Nervous System Depressants
                              Analgesics, Opioid
                              Narcotics


  Chemical Classification
Heterocyclic Compounds
      Alkaloids
            Opiate Alkaloids
                  Morphinans
                        Morphine
      Heterocyclic Compounds with 4 or More Rings
            Morphinans
                  Morphine
      Heterocyclic Compounds, Bridged-Ring
            Morphinans
                  Morphine
Polycyclic Compounds
      Polycyclic Hydrocarbons, Aromatic
            Phenanthrenes
                  Morphinans
                        Morphine


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

EINECS - European Inventory of Existing Commercial Chemical Substances

EINECS - European Inventory of Existing Commercial Chemical Substances

Haz-Map - Occupational toxicology information

TOXLINE - Citations to the toxicological literature

TOXLINE - Citations to the toxicological literature

LactMed - Information on chemicals that breastfeeding mothers may be exposed

ClinicalTrials.gov - Registry of federal and private clinical trials


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BioActivity Results:
Tested in BioAssays: All: 1   Active: 1   
BioActivity Summary:
This Compound   with Similar Compounds

AID: 1195 Source: EPA DSSTox
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database


Depositor-Supplied Synonyms: (Total: 88)
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Properties Computed from Structure:
Molecular Weight285.33766 [g/mol]
Molecular FormulaC17H19NO3
XLogP0.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count0
Tautomer Count3
Exact Mass285.136493
MonoIsotopic Mass285.136493
Topological Polar Surface Area52.9
Heavy Atom Count21
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom StereoCenter Count5
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14
(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,
17-/m0/s1



Compound Information:
CID: 5288826   
Create Date: 2004-09-16

Related Compounds:
Same, Connectivity: 27 Links
Same, Stereochemistry: 4 Links
Same, Isotopes: 23 Links

Similar Compounds: 1296 Links


Substance Information:
Substances:
    All: 261 Links
    Same structure: 18 Links
    Mixture: 243 Links

Category: [for same structure substances]
Biological Properties: 5 Links
   ChEBI ( 1 )
SID: 8144201 - External ID: CHEBI:17303
   DiscoveryGate ( 1 )
SID: 11041479 - External ID: 5288826
   LeadScope ( 1 )
SID: 49992759 - External ID: LS-91748
   NIAID ( 1 )
SID: 597738 - External ID: 001987
   xPharm ( 1 )
SID: 7980017 - External ID: 8990

Journal Publishers: 3 Links
   Nature Chemical Biology ( 1 )
SID: 46394454 - External ID: nchembio.64-comp1
   Thomson Pharma ( 2 )
SID: 14897787 - External ID: 00007936
SID: 14775492 - External ID: 00028787

Metabolic Pathways: 1 Link
   BIND ( 1 )
SID: 841232 - External ID: 380

Protein 3D Structures: 2 Links
   MMDB ( 1 )
SID: 829990 - External ID: 27279.3
   SMID ( 1 )
SID: 7888991 - External ID: MOI

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID: 39321145 - External ID: 4450907

Toxicology: 5 Links
   ChemIDplus ( 1 )
SID: 148818 - External ID: 000057272
   EPA DSSTox ( 4 )
SID: 48416295 - External ID: 23336
SID: 56312595 - External ID: 47465
SID: 56313877 - External ID: 48871
SID: 56312319 - External ID: 53961

Compound ID5288826
Molecular Weight285.33766 [g/mol]
Molecular FormulaC17H19NO3
XLogP0.8
H-Bond Donor2
H-Bond Acceptor4


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