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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXESTROL MONOMETHYL ETHER

SMILES

CC[C@H]([C@H](CC)C1=CC=C(OC)C=C1)C2=CC=C(O)C=C2

InChI

InChIKey=ITRDPYNINWIWLM-RBUKOAKNSA-N
InChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24O2
Molecular Weight 284.3927
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:08:25 GMT 2023
Edited
by admin
on Sat Dec 16 06:08:25 GMT 2023
Record UNII
B1LXH6RPPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXESTROL MONOMETHYL ETHER
Common Name English
PHENOL, 4-((1R,2S)-1-ETHYL-2-(4-METHOXYPHENYL)BUTYL)-, REL-
Common Name English
NSC-19200
Code English
PHENOL, 4-(1-ETHYL-2-(4-METHOXYPHENYL)BUTYL)-, (R*,S*)-
Common Name English
Code System Code Type Description
FDA UNII
B1LXH6RPPM
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
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EPA CompTox
DTXSID9022497
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
NSC
19200
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
CAS
13026-26-1
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
PUBCHEM
21629892
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY