ChemicalBook--->CAS DataBase List--->60282-87-3

60282-87-3

60282-87-3 Structure

60282-87-3 Structure
IdentificationMore
[Name]

Gestodene
[CAS]

60282-87-3
[Synonyms]

17-(2-propenyl)estr-4-en-17-ol
(17alpha)-13-ethyl-17-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one
GESTODENE
15-dien-20-yn-3-one,13-ethyl-17-hydroxy-19-dinorpregna-(17-alpha)-1
17-alpha-ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one
(17)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one
SH B 33
GESTODONE
17α-Ethynyl-17β-hydroxy-18-methylestra-4,15-dien-3-one
GESTOGENE
SH B 331
Femodene
(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
17-alpha-Ethynyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one
18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)
(17R)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one
[EINECS(EC#)]

262-145-8
[Molecular Formula]

C21H32O
[MDL Number]

MFCD00867858
[Molecular Weight]

300.48
[MOL File]

60282-87-3.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

190-192°C
[Boiling point ]

462.7±45.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMSO: >20mg/mL
[form ]

powder
[pka]

12.16±0.40(Predicted)
[color ]

white to off-white
[Optical Rotation]

[α]/D -175 to -195° (DCM)
[Usage]

Orally active gestogen with progesterone-like profile of activity
[λmax]

240nm(MeOH)(lit.)
[Merck ]

14,4413
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
[InChIKey]

SIGSPDASOTUPFS-XUDSTZEESA-N
[SMILES]

C1C[C@]2([H])[C@@]3([H])CC[C@]4(CC)[C@@](C#C)(O)C=C[C@@]4([H])[C@]3([H])CCC2=CC1=O
[CAS DataBase Reference]

60282-87-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361fd
[Precautionary statements ]

P201-P308+P313
[Hazard Codes ]

Xn
[Risk Statements ]

62
[Safety Statements ]

36/37-24/25
[WGK Germany ]

3
[RTECS ]

JF7956000
[HS Code ]

29144000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Repr. 2
[Hazardous Substances Data]

60282-87-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N,N-Dimethylformamide-->Methanesulfonyl chloride-->Potassium chloride-->Ferrous sulfate heptahydrate-->Sodium nitrate-->Potassium Phosphate Monobasic-->Argon-->4-Methyl-2-pentanone-->Acetylacetone-->MAIZE POWDER MA 1.0 IRMM CERTIFIED RE-F-->18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, cyclic 1,2-ethanediyl mercaptole, (17α)- (9CI)-->Gestodene Impurity 1-->13beta-Ethyl-15α-hydroxy-18-norandrost-4-ene-3,17-dione-->D-Ethylgonendione-->Bromoethane-->ETHYNYLMAGNESIUM BROMIDE-->Acetylene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one(60282-87-3).msds
Hazard InformationBack Directory
[Description]

Gestodene is a progestogen, recently launched in combination with ethinyl estradiol as an oral contraceptive.
[Chemical Properties]

White Crystalline Solid
[Originator]

Schering AG (W. Germany)
[Uses]

Estrogens and progestins are female hormones. They are produced by the body and are necessary for the normal sexual development of the female and for the regulation of the menstrual cycle during the childbearing years. Gestodene is a progestogen hormonal
[Uses]

Orally active gestogen with progesterone-like profile of activity. Used in combination with estrogen as oral contraceptive.
[Definition]

ChEBI: Gestodene is a steroid. It has a role as an estrogen.
[Brand name]

Femodene
Spectrum DetailBack Directory
[Spectrum Detail]

Gestodene(60282-87-3)1HNMR
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