Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00914)
Name
Carboprost tromethamine
Synonyms    Click to Show/Hide the Synonyms of This API
CARBOPROST TROMETHAMINE; Hemabate; 58551-69-2; UNII-U4526F86FJ; Carboprost Trometanol; Carboprost (tromethamine); carboprost trometamol; U4526F86FJ; U-32921E; U-32,921E; 15-Methyl prostaglandin F2alpha; Prostin / 15M; Hemabate (TN); Prostin/15; Carboprost tromethamine [USAN:USP]; U 32921E; Carboprost Tromethanimine; 15-Methyl PGF2 alpha; 15(S)15-Methyl pgf2-alpha tromethamine salt; SCHEMBL433085; 15(S)15-Methyl prostaglandin F2-alpha tromethamine; Carboprost tromethamine (USP); CHEMBL1237105; C25H47NO8; (15S)-15-Methylprostaglandin F(sub 2alpha) tromethamine; DTXSID601015618; HY-A0195; AKOS037435222; (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyl-1-octenyl)cyclopentyl)-5-heptenoic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1); N916; CS-0017541; D00682; U32921; 551C692; U-32921; J-507750; Q18578732; (5Z,9?,11?,15E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oic acid tris(hydroxymethyl)aminomethane salt; 2-Amino-2-(hydroxymethyl)propane-1,3-diol (E)-7-((1s,3s,5r)-3,5-dihydroxy-2-((s,z)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept- 5-enoate; 2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid; Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9-alpha,11-alpha,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
Clinical Status
Approved
PubChem CID
5281074
Formula
C25H47NO8
Canonical SMILES
CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O
InChI
1S/C21H36O5.C4H11NO3/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19-,21+;/m1./s1
InChIKey
UMMADZJLZAPZAW-XOWPVRJPSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=5281074"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 489.6 Topological Polar Surface Area 185
XlogP N.A. Complexity 527
Heavy Atom Count 34 Rotatable Bond Count 15
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 9
Full List of Drug Formulations (DFMs) Containing This API
          Carboprost Tromethamine eq 0.25mg base/ml injectable Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Tromethamine; Sodium Chloride; Benzyl Alcohol; Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Injectable
                   Company Pfizer
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Benzyl alcohol DIG Info Indoleamine 2,3-dioxygenase 1 (IC50 = 1400 nM) [1]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [2]
References
1 O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. Eur J Med Chem. 2016 Jan 27; 108:564-576.
2 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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