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CHEBI:5812 - Hydroxyprogesterone caproate

ChEBI IDCHEBI:5812
ChEBI NameHydroxyprogesterone caproate
Stars
Last Modified22 February 2017
DownloadsMolfile

FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCCCC)C(C)=O
InChIInChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKeyDOMWKUIIPQCAJU-LJHIYBGHSA-N

Roles Classification

ChEBI Ontology
Synonyms  Source
Hydroxyprogesterone caproateKEGG COMPOUND
Primolut depotKEGG COMPOUND
17alpha-Caproyloxypregn-4-ene-3,20-dioneKEGG COMPOUND
makenaDrugCentral
oxyprogesterone caproateDrugCentral
17-alpha-hydroxy-progesterone caproateDrugCentral
Manual XrefsDatabases
C08148KEGG COMPOUND
D00949KEGG DRUG
4189DrugCentral
Registry NumbersSources
CAS:630-56-8KEGG COMPOUND