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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19Br
Molecular Weight 363.29
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BROPARESTROL (E)-

SMILES

CCC1=CC=C(C=C1)C(=C(\Br)C2=CC=CC=C2)\C3=CC=CC=C3

InChI

InChIKey=OQCYTSHIQNPJIC-QURGRASLSA-N
InChI=1S/C22H19Br/c1-2-17-13-15-19(16-14-17)21(18-9-5-3-6-10-18)22(23)20-11-7-4-8-12-20/h3-16H,2H2,1H3/b22-21+

HIDE SMILES / InChI

Molecular Formula C22H19Br
Molecular Weight 363.29
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Broparestrol, (Z)- is an isomer of Broparestrol -- synthetic, nonsteroidal selective estrogen receptor modulator (SERM) of the triphenylethylene group that has been used in Europe as a dermatological agent and for the treatment of breast cancer. Broparestrol, (Z)- and Broparestrol, (E)- demonstrates antiestrogenic activity but, unlike broparestrol, were never marketed.

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:09:38 UTC 2023
Edited
by admin
on Sat Dec 16 02:09:38 UTC 2023
Record UNII
4F4UXV47YI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROPARESTROL (E)-
Common Name English
TRANS-BROPARESTROL
Common Name English
ETHYLENE, 1-BROMO-2-(P-ETHYLPHENYL)-1,2-DIPHENYL-, (E)-
Common Name English
BROPARESTROL (E)-FORM [MI]
Common Name English
LN-1643
Code English
(E)-BROPARESTROL
Common Name English
BENZENE, 1-(2-BROMO-1,2-DIPHENYLETHENYL)-4-ETHYL-, (E)-
Common Name English
1-(2-BROMO-1,2-DIPHENYLETHENYL)-4-ETHYLBENZENE, (E)-
Systematic Name English
Code System Code Type Description
CAS
22393-62-0
Created by admin on Sat Dec 16 02:09:38 UTC 2023 , Edited by admin on Sat Dec 16 02:09:38 UTC 2023
PRIMARY
PUBCHEM
3032769
Created by admin on Sat Dec 16 02:09:38 UTC 2023 , Edited by admin on Sat Dec 16 02:09:38 UTC 2023
PRIMARY
MERCK INDEX
m1040
Created by admin on Sat Dec 16 02:09:38 UTC 2023 , Edited by admin on Sat Dec 16 02:09:38 UTC 2023
PRIMARY Merck Index
FDA UNII
4F4UXV47YI
Created by admin on Sat Dec 16 02:09:38 UTC 2023 , Edited by admin on Sat Dec 16 02:09:38 UTC 2023
PRIMARY