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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16O2
Molecular Weight 240.297
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLSTILBESTROL

SMILES

C\C(C1=CC=C(O)C=C1)=C(\C)C2=CC=C(O)C=C2

InChI

InChIKey=XPINIPXARSNZDM-VAWYXSNFSA-N
InChI=1S/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+

HIDE SMILES / InChI

Molecular Formula C16H16O2
Molecular Weight 240.297
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.
2015 Feb
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:05 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:05 UTC 2023
Record UNII
30L22Q8N9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYLSTILBESTROL
Common Name English
PHENOL, 4,4'-((1E)-1,2-DIMETHYL-1,2-ETHENEDIYL)BIS-
Systematic Name English
.ALPHA.,.ALPHA.'-DIMETHYL-4,4'-STILBENEDIOL
Common Name English
DIMETHYLSTILBOESTROL
Common Name English
PHENOL, 4,4'-(1,2-DIMETHYL-1,2-ETHENEDIYL)BIS-, (E)-
Common Name English
NSC-45946
Code English
4,4'-STILBENEDIOL, .ALPHA.,.ALPHA.'-DIMETHYL-, (E)-
Common Name English
Code System Code Type Description
CAS
552-80-7
Created by admin on Fri Dec 15 15:13:05 UTC 2023 , Edited by admin on Fri Dec 15 15:13:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID2022468
Created by admin on Fri Dec 15 15:13:05 UTC 2023 , Edited by admin on Fri Dec 15 15:13:05 UTC 2023
PRIMARY
NSC
45946
Created by admin on Fri Dec 15 15:13:05 UTC 2023 , Edited by admin on Fri Dec 15 15:13:05 UTC 2023
PRIMARY
PUBCHEM
3004636
Created by admin on Fri Dec 15 15:13:05 UTC 2023 , Edited by admin on Fri Dec 15 15:13:05 UTC 2023
PRIMARY
WIKIPEDIA
Dimethylstilbestrol
Created by admin on Fri Dec 15 15:13:05 UTC 2023 , Edited by admin on Fri Dec 15 15:13:05 UTC 2023
PRIMARY
FDA UNII
30L22Q8N9M
Created by admin on Fri Dec 15 15:13:05 UTC 2023 , Edited by admin on Fri Dec 15 15:13:05 UTC 2023
PRIMARY