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595-77-7

595-77-7 Structure

595-77-7 Structure
IdentificationMore
[Name]

Algestone
[CAS]

595-77-7
[Synonyms]

16a,17a-dihydroxyprogesterone
4-PREGNEN-16ALPHA,17ALPHA-DIOL-3,20-DIONE
4-PREGNEN-16-ALPHA, 17-DIOL-3,20-DIONE
ALGESONE
ALGESTONE
ALPHASONE
DIHYDROXYPROGESTERONE
16α,17-Dihydroxyprogesterone
4-Pregnene-16alpha,17-diol-3,20-dione
ALGESTONE(16ALPHA,17ALPHA-DIHYDROXYPROGESTERONE)
Alfasone
Pregn-4-ene-3,20-dione, 16,17-dihydroxy-, (16a)-
16α,17-Dihydroxypregn-4-ene-3,20-dione
[EINECS(EC#)]

209-869-2
[Molecular Formula]

C21H30O4
[MDL Number]

MFCD00271948
[Molecular Weight]

346.46
[MOL File]

595-77-7.mol
Chemical PropertiesBack Directory
[Melting point ]

225°
[alpha ]

D22 +95° (c = 0.81 in CHCl3)
[Boiling point ]

503.4±50.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

12.50±0.70(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/s3
[InChIKey]

CXDWHYOBSJTRJU-RBGHNXGKNA-N
[SMILES]

[C@]12(C)CC[C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)C |&1:0,4,6,16,18,21,23,r|
[LogP]

2.863
[CAS DataBase Reference]

595-77-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Hazard statements ]

H411
[REACH Registrations]

Active
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

16a,17a-Dihydroxyprogesterone(595-77-7).msds
Hazard InformationBack Directory
[Uses]

Algestone is a pregnane steroid, its acetonide is used as anti-inflammatory drug (topical) and combination with enanthate as injectable contraceptive.
[Definition]

ChEBI: A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17.
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