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218944

Diethylstilbestrol, mixture of cis and trans

97%

Synonym(s):

DES

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About This Item

Empirical Formula (Hill Notation):
C18H20O2
CAS Number:
6898-97-1
Molecular Weight:
268.35
NACRES:
NA.22
PubChem Substance ID:
24853100
UNSPSC Code:
12352100
EC Number:
200-278-5
MDL number:
MFCD00002373
Assay:
97%
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assay

97%

mp

170-172 °C (lit.)

SMILES string

CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2

InChI

1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

InChI key

RGLYKWWBQGJZGM-ISLYRVAYSA-N

Gene Information

human ... ESR1(2099), ESR2(2100), ESRRG(2104)
mouse ... Esr1(13982)
rat ... Ar(24208), Esr1(24890)

General description

Mechanisms of the isomerization processes of molecular and anionic diethylstilbestrol (DES) has been reported. Estrogen activity of cis- and trans-diethylstilbestrol has been evaluated. Diethylstilbestrol is a carcinogenic synthetic estrogen.

Application

Diethylstilbestrol was used as internal standard for the analysis of drug residues in urine of rats and calves by on-line HPLC with ultraviolet and continuous-flow fast atom bombardmentmass spectrometry detectors.

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

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

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