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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

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
Record UNII
4F4UXV47YI
Record Status Validated (UNII)
Record Version