FPL-67336

Details

Stereochemistry	EPIMERIC
Molecular Formula	C20H27FO5S
Molecular Weight	398.489
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC([C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])C[C@@H](O)C4=CC(=O)C=C[C@]34C)S(C)(=O)=O

InChI

InChIKey=OCGVGQWOJKERDH-GCUSKVGZSA-N

InChI=1S/C20H27FO5S/c1-18-10-16(24)20(21)13(12(18)4-5-17(18)27(3,25)26)9-15(23)14-8-11(22)6-7-19(14,20)2/h6-8,12-13,15-17,23-24H,4-5,9-10H2,1-3H3/t12-,13-,15+,16-,17?,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H27FO5S
Molecular Weight	398.489
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:54:33 UTC 2023` Edited by `admin` on `Sat Dec 16 16:54:33 UTC 2023`
Record UNII	MO9VL2X4EG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FPL-67336

Code

English

TIPREDANE METABOLITE V

Common Name

English

ANDROSTA-1,4-DIEN-3-ONE, 9-FLUORO-6,11-DIHYDROXY-17-(METHYLSULFONYL)-, (6.BETA.,11.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MO9VL2X4EG

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

CAS

183242-26-4

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

EPA CompTox

DTXSID60939701

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

PUBCHEM

183795

Created by admin on Sat Dec 16 16:54:33 UTC 2023 , Edited by admin on Sat Dec 16 16:54:33 UTC 2023

PRIMARY

Related Record Type Details


					169D68E13P

TIPREDANE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE