Preferred Name |
estropipate |
|
Synonyms |
Piperazine estrone sulfate Estropipate |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_4873 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D00948 CAS:7280-37-7 |
|
formula |
C18H22O5S.C4H10N2 C22H32N2O5S |
|
has functional parent | ||
has_exact_synonym |
Estropipate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Piperazine estrone sulfate |
|
id |
CHEBI:4873 |
|
in_subset | ||
inchi |
InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1 |
|
inchikey |
HZEQBCVBILBTEP-ZFINNJDLSA-N |
|
label |
estropipate |
|
mass |
436.567 |
|
monoisotopicmass |
436.20319 |
|
notation |
CHEBI:4873 |
|
prefLabel |
estropipate |
|
smiles |
[C@@]12([C@@](C3=C(C=C(OS(=O)(=O)O)C=C3)CC1)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H].C1CNCCN1 |
|
treeView | ||
subClassOf |
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