Hydroxyprogesterone caproate

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Systematic / IUPAC Name: 3,20-Dioxopregn-4-en-17-yl hexanoate

ID: Reference7171

Other Names: 17α-Caproyloxypregn-4-ene-3,20-dione;
17-α-Hexanoyloxypregn-4-ene-3,20-dione;
17-Caproxyprogesterone;
Depo-proluton;
Estralutin ; more

Formula: C27H40O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Hydroxyprogesterone caproate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/12/2017 12:32:17 PM
View Mass Spec Data > >

Identificators

InChI InChI=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
InChI Key DOMWKUIIPQCAJU-LJHIYBGHSA-N
Canonical SMILES CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C
CAS 630568
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Other Names 17α-Caproyloxypregn-4-ene-3,20-dione;
17-α-Hexanoyloxypregn-4-ene-3,20-dione;
17-Caproxyprogesterone;
Depo-proluton;
Estralutin;
Hormofort;
Hyproval;
Kaprogest;
Lutate;
Makena;
Neolutin forte;
Primolut depot;
Proge;
Proluton depot;
Relutin;
Syngynon;
Teralutil;
(1S,11S,15S,2R,10R,14R)-14-Acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0.0 ]heptadec-6-en-14-yl hexanoate;
(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl hexanoate;
[(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate;
17-α-Hydroxyprogesterone caproate;
17α-Hydroxyprogesterone hexanoate;
17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione;
17a-Hydroxyprogesterone caproate;
17-Hydroxypregn-4-ene-3,20-dione hexanoate;
Hexanoic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester;
Hydroxyprogesterone hexanoate;
Pregn-4-ene-3,20-dione, 17-[(1-oxohexyl)oxy]-;
Pregn-4-ene-3,20-dione, 17-hydroxy-, hexanoate;
Progesterone caproate;
Progesterone, 17-hydroxy-, hexanoate

In Other Databases

KEGG C08148; D00949
ChEBI CHEBI:5812
DrugBank DB06789
Wikipedia Hydroxyprogesterone caproate
ChEMBL CHEMBL1200848
PubChem 169870
ChemSpider 148552