(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione
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![(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/805418b7026047ab9f6b13b0e306de81.png "(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione")
(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione
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CAS No:
3593-96-2
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Formula:
C27H40O6
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Chemical Name:
(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione
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Synonyms:
Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexyl)oxy]-,(11β)-;Cortisol,21-hexanoate;Hexanoic acid,21-ester with cortisol;(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione;Hydrocortisone 21-caproate;Hydrocortisone caproate;Hydrocortisone hexanoate;Hydrocortisone 21-hexanoate
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CAS No:
Description
ChEBI: The 21-O-hexanoyl derivative of hydrocortisone.
Hydrocortisone caproate is the 21-O-hexanoyl derivative of hydrocortisone. It is a cortisol ester, a glucocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a hexanoate ester, a 3-oxo-Delta(4) steroid and a tertiary alpha-hydroxy ketone. It derives from a cortisol. It derives from a hydride of a pregnane.
(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione Basic Attributes
460.6029
460.60
222-737-9
SAE475O6E4
DTXSID20872908
Safety Information
P201, P202, P260, P281, P308+P313, P314, P405, P501
H360
|Danger|H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]|P201, P202, P260, P281, P308+P313, P314, P405, and P501|Aggregated GHS information provided by 24 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Computed Properties
Molecular Weight:460.6
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:460.28248899
Monoisotopic Mass:460.28248899
Topological Polar Surface Area:101
Heavy Atom Count:33
Complexity:848
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(11β)-11,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione
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