Chelist Moleculee
JRC CODE:JRC-000191
cas:56-53-1
einecs:200-278-5
smiles:CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
name:Diethylstilbestrol
MW:268.3502
formula:C18H20O2
InChi:
InChiKey:
SMARTS:
Other names
Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-
Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene
(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol
(E)-Diethylstilbestrol
4,4'-Dihydroxy-α,β-diethylstilbene
4,4'-Dihydroxydiethylstilbene
Agostilben
Antigestil
Bertrol
Bio-des
Bufon
Comestrol
Cyren
Cyren A
DEB
DES
DES (synthetic estrogen)
Di-Estryl
DiBestrol 2 Premix
Diethylstilbestrol
Distilbene
Domestrol
Estilbin MCO
Estrobene
Estromenin
Estrosyn
Fonatol
Grafestrol
Hi-Bestrol
Iscovesco
Menostilbeen
Microest
Milestrol
NSC 3070
Neo-Oestranol I
Oestrogenine
Oestromenin
Oestromensyl
Oestromon
Pabestrol
Palestrol
Rumestrol 1
Rumestrol 2
Serral
Sexocretin
Sibol
Stil
Stil-Rol
Stilbestrol
Stilbetin
Stilboefral
Stilboestroform
Stilboestrol
Stilkap
Synestrin
Synthoestrin
Synthofolin
Syntofolin
Vagestrol
trans-4,4'-Dihydroxy-α,β-diethylstilbene
trans-Diethylstilbestrol
trans-α,α'-Diethyl-4,4'-stilbenediol
α,α'-Diethyl-4,4'-stilbenediol
α,α'-Diethylstilbenediol
4,4'-Stilbenediol, α,α'-diethyl-, trans- (4CI)
4,4'-Stilbenediol, α,α'-diethyl-, trans- (4CI)

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
DNT list (71): A database of developmental neurotoxicants (International Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)