S-(Fluoromethyl) (6?,11?,16?,17?)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androst-4-ene-17-carbothioate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H33F3O5S
Molecular Weight	502.587
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-(Fluoromethyl) (6?,11?,16?,17?)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androst-4-ene-17-carbothioate

Structure Search

SMILES

CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF

InChI

InChIKey=JPFBGPYMGJGHGN-CENSZEJFSA-N

InChI=1S/C25H33F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h9,13,15-16,18-19,30H,5-8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H33F3O5S
Molecular Weight	502.587
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:22:19 GMT 2025` Edited by `admin` on `Wed Apr 02 11:22:19 GMT 2025`
Record UNII	J2CJB114C9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6.ALPHA.,9-DIFLUORO-17-(((FLUOROMETHYL)SULFANYL)CARBONYL)-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXOANDROST-4-EN-17.ALPHA.-YL PROPANOATE

Preferred Name

English

S-(Fluoromethyl) (6?,11?,16?,17?)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androst-4-ene-17-carbothioate

Systematic Name

English

Androst-4-ene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6?,11?,16?,17?)-

Systematic Name

English

FLUTICASONE PROPIONATE IMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

105613-90-9