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:
Molecular Weight:
268.35
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
200-278-5
MDL number:
Assay:
97%
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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