ACEFLURANOL

Possibly Marketed Outside US

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H26F2O8
Molecular Weight	492.4659
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WSTGQGOLZDAWND-CWTRNNRKSA-N

InChI=1S/C25H26F2O8/c1-7-19(18-9-21(27)25(35-16(6)31)23(11-18)33-14(4)29)12(2)17-8-20(26)24(34-15(5)30)22(10-17)32-13(3)28/h8-12,19H,7H2,1-6H3/t12-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H26F2O8
Molecular Weight	492.4659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://pdfs.semanticscholar.org/d83e/fc8ae2dc5880886dee0402c669945cc80733.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 2, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ | (2013) Pharmeceutical manufacturing encyclopedia, page,33 retrieved from: https://books.google.ru/books?id=_J2ti4EkYpkC

Acefluranol is a nonsteroidal antiestrogen of the stilbestrol group that was never marketed.

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:50:34 GMT 2023` Edited by `admin` on `Sat Dec 16 17:50:34 GMT 2023`
Record UNII	3K0BN50QXD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACEFLURANOL

Official Name

English

BX-591

Code

English

B- 591

Code

English

BX 591

Code

English

acefluranol [INN]

Common Name

English

4,4'-((1RS,2SR)-1-ETHYL-2-METHYLETHYLENE)BIS(6-FLUOROPYROCATECHOL) TETRAACETATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C481