General Information of the Compound
Compound ID
CP0868799
Compound Name
DINOPROST TROMETHAMINE
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Synonyms
(5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoic acid tris salt
(E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (5Z,9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprosta-5,13-dien-1-oate (salt)
5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-, tham
7-(3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-5-heptenoic acid, tromethamine salt
Dinolytic
Dinoprost Tromethamine
Dinoprost tromethamine (JAN/USP)
Dinoprost tromethamine [USAN:JAN]
Dinoprost, trometamol salt
Ensaprost
Enzaprost F compd. with trisamine
Lutalyse
Lutalyse (Veterinary)
PGF2-alpha tham
PGF2-alpha tris salt
PGF2-alpha tromethamine
PGF2-alpha tromethamine salt
PGF2alpha THAM
PGF2alpha tromethamine
PGF2alpha-Tris
PROSTAGLANDIN F2ALPHA TRIS SALT
Panacelan F tromethamine salt
Pronalgon F
Prosta-5,13-dien-1-oic acid, (5Z,9-alpha,11-alpha,13E,15S)-9,11,15-trihydroxy-, compd. with trimethylolaminomethane
Prosta-5,13-dien-1-oic acid, (5Z,9-alpha,11-alpha,13E,15S)-9,11,15-trihydroxy-,compd. with trimethylolaminomethane
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9alpha,11alpha,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
Prostaglandin F(sub 2a) tromethamine
Prostaglandin F-2alpha tromethamine salt
Prostaglandin F2-alpha THAM
Prostaglandin F2-alpha THAM salt
Prostaglandin F2-alpha tromethamine
Prostaglandin F2a tromethamine
Prostaglandin F2alpha tham
Prostaglandin F2alpha tromethamine
Prostalmon F
Prostamate
Prostin F2 alpha
Prostin F2 alpha (TN)
Protaglandin F2-alpha-tham salt
THAM PGF2-alpha
Tromethamine prostaglandin F2-alpha
U 14585
U-14,583E
U-14583E
Zinoprost
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Structure
Formula
C24H45NO8
Molecular Weight
475.623
Canonical SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO
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InChI
InChI=1S/C20H34O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
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InChIKey
IYGXEHDCSOYNKY-RZHHZEQLSA-N
CAS
38562-01-5
51553-13-0
36300-07-9
38473-38-0
Physicochemical Property
logP
0.7037
Rotatable Bonds
15
Heavy Atom Count
33
Polar Areas
184.7
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
8
Complexity
33

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 71684398
ChEMBL ID
CHEMBL1200896
DrugBank ID
DB01160
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7100 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 6309.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dinoprost Tromethamine )
Drug Name Dinoprost Tromethamine
Indication
Abortion
Approved
Target(s)
Prostacyclin receptor (PTGIR)
Antagonist