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Dinoprost - Substance Summary (SID 3912)

A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.


Drug and Chemical Information: (Total:2)         Display: Next 1 | All

Pharmacological Action

Abortifacient Agents, Nonsteroidal - Non-steroidal chemical compounds with abortifacient activity.

Oxytocics - Drugs that stimulate contraction of the myometrium. They are used to induce LABOR, OBSTETRIC at term, to prevent or control postpartum or ...


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Physiological Effects of Drugs
                  Reproductive Control Agents
                        Abortifacient Agents
                              Abortifacient Agents, Nonsteroidal
                        Oxytocics
            Therapeutic Uses
                  Reproductive Control Agents
                        Abortifacient Agents
                              Abortifacient Agents, Nonsteroidal
                        Oxytocics


  Chemical Classification
Biological Factors
      Inflammation Mediators
            Autacoids
                  Eicosanoids
                        Prostaglandins
                              Prostaglandins F
                                    Dinoprost
Lipids
      Fatty Acids
            Fatty Acids, Unsaturated
                  Eicosanoids
                        Arachidonic Acids
                              Prostaglandins
                                    Prostaglandins F
                                          Dinoprost
                        Prostaglandins
                              Prostaglandins F
                                    Dinoprost


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

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

GENETOX - Genetic toxicology information

TOXLINE - Citations to the toxicological literature


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Literature Keyword Mining Tool



Data Source:   

Depositor: KEGG
External ID: C00639

Depositor-Supplied Synonyms: (Total: 19)
Display: Next 9 | All | Sort:
dinoprost
amoglandin
cyclosin
panacelan
Protamodin
Enzaprost
Enzaprost F
prostaglandin F2alpha
Prostaglandin F2a
Prostin F 2 alpha


Properties Computed from Structure:
Molecular Weight354.48096 [g/mol]
Molecular FormulaC20H34O5
XLogP32.7
H-Bond Donor4
H-Bond Acceptor5
Rotatable Bond Count12
Exact Mass354.240624
MonoIsotopic Mass354.240624
Topological Polar Surface Area98
Heavy Atom Count25
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom StereoCenter Count5
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count2
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,
3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Canonical SMILES: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-
5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,
25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-N


Substance Information:
SID 3912   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 5280363   
Create Date: 2004-09-16

Related Substances:
Same: 22 Links
Same, Connectivity: 194 Links
Same, Stereochemistry: 31 Links
Same, Isotopes: 174 Links

Similar Substances: 1368 Links


Depositor-Supplied Comments:
CAS: 551-11-1
ChEBI: 15553
LIPIDMAPS: LMFA03010002
LipidBank: XPR1501
3DMET: B01297
Same as: D00081
Is a reactant or product of enzyme EC 1.1.1.184
Is a reactant or product of enzyme EC 1.1.1.188
Is a reactant or product of enzyme EC 1.1.1.189
Is a reactant or product of enzyme EC 1.1.1.196

     
Compound Displayed

2D

3D

Compound ID5280363
Molecular Weight354.48096 [g/mol]
Molecular FormulaC20H34O5
XLogP32.7
H-Bond Donor4
H-Bond Acceptor5


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