Pentafluranol

Pentafluranol
Clinical data
ATC code	None;
Identifiers
	IUPAC name 2-Fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol;
CAS Number	65634-39-1;
PubChem CID	3047826;
ChemSpider	16737041;
UNII	95RFZ48151;
ChEMBL	ChEMBL2105409;
CompTox Dashboard (EPA)	DTXSID001024356 ;
Chemical and physical data
Formula	C17H15F5O2
Molar mass	346.297 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(C1=CC(=C(C=C1)O)F)C(CC(F)(F)F)C2=CC(=C(C=C2)O)F;
	InChI InChI=1S/C17H15F5O2/c1-9(10-2-4-15(23)13(18)6-10)12(8-17(20,21)22)11-3-5-16(24)14(19)7-11/h2-7,9,12,23-24H,8H2,1H3; Key:PRRSFMGODMUPJN-UHFFFAOYSA-N;

Pentafluranol (INN, BAN; developmental code BX-430) is a synthetic, nonsteroidal estrogen of the stilbestrol group related to diethylstilbestrol that was developed for the treatment of benign prostatic hyperplasia never marketed.^[1]^[2] It was described in the medical literature in 1974.^[1]

References

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Clinical data

ATC code	None
Identifiers
IUPAC name 2-Fluoro-4-[5,5,5-trifluoro-3-(3-fluoro-4-hydroxyphenyl)pentan-2-yl]phenol
CAS Number	65634-39-1
PubChem CID	3047826
ChemSpider	16737041
UNII	95RFZ48151
ChEMBL	ChEMBL2105409
CompTox Dashboard (EPA)	DTXSID001024356
Chemical and physical data
Formula	C₁₇H₁₅F₅O₂
Molar mass	346.297 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(C1=CC(=C(C=C1)O)F)C(CC(F)(F)F)C2=CC(=C(C=C2)O)F
InChI InChI=1S/C17H15F5O2/c1-9(10-2-4-15(23)13(18)6-10)12(8-17(20,21)22)11-3-5-16(24)14(19)7-11/h2-7,9,12,23-24H,8H2,1H3 Key:PRRSFMGODMUPJN-UHFFFAOYSA-N