CHEBI:3404 - carboprost tromethamine

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ChEBI Name carboprost tromethamine
ChEBI ID CHEBI:3404
Definition The tromethamine salt of carboprost. It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H47NO8
Net Charge 0
Average Mass 489.64260
Monoisotopic Mass 489.33017
InChI 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-OVXHCKHTSA-N
SMILES [NH3+]C(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC([O-])=O
Roles Classification
Application(s): oxytocic
A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients).
abortifacient
A chemical substance that interrupts pregnancy after implantation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing carboprost tromethamine (CHEBI:3404) has part carboprost(1−) (CHEBI:59205)
carboprost tromethamine (CHEBI:3404) has part Htris (CHEBI:46097)
carboprost tromethamine (CHEBI:3404) has role abortifacient (CHEBI:50691)
carboprost tromethamine (CHEBI:3404) has role oxytocic (CHEBI:36063)
carboprost tromethamine (CHEBI:3404) is a organoammonium salt (CHEBI:46850)
IUPAC Name
(5Z,9α,11β,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)
Synonyms Sources
(15S)-15-methyl-PGF2α tromethamine salt ChemIDplus
(15S)-15-methylprostaglandin F2α tromethamine ChemIDplus
1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium (5Z,9α,11β,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oate IUPAC
15(S)-15-methyl-PGF2α tromethamine salt ChemIDplus
15(S)-15-methylprostaglandin F2α tromethamine ChemIDplus
carboprost trometamol ChEBI
Manual Xrefs Databases
D00682 KEGG DRUG
DB00429 DrugBank
View more database links
Registry Number Type Source
58551-69-2 CAS Registry Number ChemIDplus
Last Modified
30 April 2010