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46272

Ethisterone

VETRANAL®, analytical standard

Synonym(s):

17α-Ethynyltestosterone, 17β-Hydroxy-4,17α-pregnen-20-yn-3-one, 4,17α-Pregnen-17β-ol-20-yn-3-one

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About This Item

Empirical Formula (Hill Notation):
C21H28O2
CAS Number:
434-03-7
Molecular Weight:
312.45
EC Number:
207-096-5
UNSPSC Code:
41116107
PubChem Substance ID:
329757117
Beilstein/REAXYS Number:
1889895
MDL number:
MFCD00003656
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grade

analytical standard

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

drug control

regulated under CDSA - not available from Sigma-Aldrich Canada

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

mp

263-269 °C (lit.)

application(s)

pharmaceutical (small molecule)

format

neat

SMILES string

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C

InChI

1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

InChI key

CHNXZKVNWQUJIB-CEGNMAFCSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

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pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1A

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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José Ruiz et al.
Journal of inorganic biochemistry, 105(4), 525-531 (2011-02-22)
The novel steroidal carrier ligand 17-α-[4'-ethynyl-dimethylbenzylamine]-17-β-testosterone (ET-dmba 1) and the steroid--C,N-chelate platinum(II) derivatives [Pt(ET-dmba)Cl(L)] (L = DMSO (2) and PTA (3; PTA =1,3,5-triaza-7-phosphaadamantane)) have been prepared. Values of IC(50) were calculated for the new platinum complexes 2 and 3 against
New warning on birth control patch.
FDA consumer, 40(1), 4-4 (2006-03-15)
Agnieszka Bartmańska et al.
Steroids, 70(3), 193-198 (2005-03-15)
The application of Penicillium notatum genus for biotransformations of steroids has been investigated. The reactions observed include insertion of an oxygen atom into D-ring of steroids, 15alpha-hydroxylation of 17alpha-methyl testosterone derivatives, ester bond hydrolysis, and degradation of a testosterone derivatives
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