loading...| Preferred Name | treprostinil | |
| Synonyms |
treprostinil treprostinilo treprostinilum ({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50861 |
|
| alternative term |
treprostinil treprostinilo treprostinilum ({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_55347 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_50427 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D06213 DrugBank:DB00374 Drug_Central:2720 CAS:81846-19-7 |
|
| formula |
C23H34O5 |
|
| has_exact_synonym |
({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
treprostinil treprostinilo treprostinilum |
|
| id |
CHEBI:50861 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 |
|
| inchikey |
PAJMKGZZBBTTOY-ZFORQUDYSA-N |
|
| label |
treprostinil |
|
| mass |
390.51306 |
|
| monoisotopicmass |
390.24062 |
|
| notation |
CHEBI:50861 |
|
| prefLabel |
treprostinil |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_55347 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_50427 |
|
| smiles |
[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])Cc1cccc(OCC(O)=O)c1C2 |
|
| subClassOf |