Jump to:
loading...| Preferred Name |
estropipate |
|
| Synonyms |
Piperazine estrone sulfate Estropipate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4873 |
|
| alternative term |
Piperazine estrone sulfate Estropipate |
|
| charge |
0 |
|
| database_cross_reference |
CAS:7280-37-7 KEGG:D00948 |
|
| formula |
C22H32N2O5S C18H22O5S.C4H10N2 |
|
| has_exact_synonym |
Estropipate |
|
| has_functional_parent | ||
| 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 |
|
| subClassOf |
Create mapping