UCSF

ZINC03875484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 No

CAS Numbers: 76-43-7 , [76-43-7]

Other Names:

(11beta,17beta)-9-Fluoro-11,17-dihydroxy-17-methylandrost-4-en-3-one

(8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

ster-

11-beta,17-beta-Dihydroxy-9-alpha-fluoro-17-alpha-methyl-4-androster-3-one

11-beta,17-beta-Dihydroxy-9-alpha-fluoro-17-alpha-methyl-4-androster-3-one; 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-4-androsten-3-one; 17-alpha-Methyl-9-alpha-fluoro-11-beta-hydroxytesterone; 9-Fluoro-11-beta,17-beta-dihydroxy-17-methylandros

11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-4-androsten-3-one

11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-4-androster-3-one

11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-4-androster-3-one; 17alpha-Methyl-9alpha-fluoro-11beta-hydroxytesterone; 9-Fluoro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one; 9alpha-Fluoro-11beta-hydroxy-17-methyltestosterone; Testosterone, 9

17-alpha-Methyl-9-alpha-fluoro-11-beta-hydroxytesterone

17alpha-Methyl-9alpha-fluoro-11beta-hydroxytesterone

4-08-00-02057 (Beilstein Handbook Reference)

76-43-7

76-43-7; D00327; Fluoxymesterone (JP16/USP/INN); Halotestin (TN)

9-alpha-Fluoro-11-beta,17-beta-dihydroxy-17-alpha-methyl-4-androstene-3-one

9-alpha-Fluoro-11-beta-hydroxy-17-methyltestosterone

9-alpha-Fluoro-17-alpha-methyl-11-beta,17-dihydroxy-4-androsten-3-one

9-Fluoro-11-beta,17-beta-dihydroxy-17-methylandrost-4-en-3-one

9-Fluoro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one

9-fluoro-11beta,17beta-dihydroxy-17alpha-methylandrost-4-en-3-one

9.alpha.-Fluoro-11.beta.,17.beta.-dihydroxy-17.alpha.-methyl-4-androstene-3-one

9.alpha.-Fluoro-11.beta.-hydroxy-17-methyltestosterone

9alpha-fluoro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one

9alpha-Fluoro-11beta,17beta-dihydroxy-17alpha-methyl-4-androstene-3-one

9alpha-Fluoro-11beta,17beta-dihydroxy-17alpha-methylandrost-4-en-3-one

9alpha-Fluoro-11beta-hydroxy-17-methyltestosterone

9alpha-Fluoro-11beta-hydroxy-17alpha-methyltestosterone

9alpha-Fluoro-17alpha-methyl-11beta,17-dihydroxy-4-androsten-3-one

AC1L1MJU

AI3-52940

Anadroid-F

Androfluorene

Androfluorene;Androfluorone;Fluossimesterone [DCIT];Fluoximesterona [INN-Spanish];Fluoximesterone;Fluoximesteronum;Fluoxymesteronum [INN-Latin];Fluoxymestrone

Androfluorone

Android-f

Androst-4-en-3-one, 9-fluoro-11,17-dihydroxy-17-methyl-, (11.beta.,17.beta.)-

Androst-4-en-3-one, 9-fluoro-11,17-dihydroxy-17-methyl-, (11beta,17beta)-

Androst-4-en-3-one, 9-fluoro-11-beta,17-beta-dihydroxy-17-methyl-

Androst-4-en-3-one, 9-fluoro-11.beta.,17.beta.-dihydroxy-17-methyl-

Androst-4-en-3-one, 9-fluoro-11beta,17beta-dihydroxy-17-methyl-

Androst-4-en-3-one, 9-fluoro-11beta,17beta-dihydroxy-17-methyl- (VAN)

Androst-4-en-3-one, 9-fluoro-11beta,17beta-dihydroxy-17-methyl- (VAN) (8CI)

Androsterolo

Androxy

BAN

BRN 2008796

C20H29FO3

CCRIS 9036

CHEBI:5120

CHEMBL1445

CID6446

component of Halodrin

D00327

DAP000904

DB01185

EINECS 200-961-8

F7751_SIGMA

FDA

Fluoro-9-alpha dihydroxy-11-beta,17-beta methyl-17-alpha androstene-4 one-3

Fluoro-9-alpha dihydroxy-11-beta,17-beta methyl-17-alpha androstene-4 one-3 [French]

Fluossimesterone

Fluossimesterone [DCIT]

Fluosterone

Fluotestin

Fluoximesteron

Fluoximesterona

Fluoximesterona [INN-Spanish]

fluoximesterona; fluoxymesterone; fluoxymesteronum

Fluoximesterone

Fluoximesteronum

Fluoxymesterone (BAN

Fluoxymesterone (FDA

Fluoxymesterone (JP15/USP/INN)

Fluoxymesterone [INN:BAN:JAN]

Fluoxymesterone, 97.0-102.0%

Fluoxymesteronum

Fluoxymesteronum [INN-Latin]

Fluoxymestrone

Flusteron

Flutestos

FXM

Halotestin

Halotestin (TN)

HSDB 3333

INN

JAN

LMST02020025

LS-19496

MFCD00010480

MLS001055414

MolPort-004-285-946

NCGC00091037-01

Neo-Ormonal

NSC 10704

NSC-12165

NSC10704

NSC12165

Ora Testryl

Ora-testryl

Oralsterone

Oratestin

SMR000686158

Testoral

Testosterone, 9-fluoro-11.beta.-hydroxy-17-methyl-

Testosterone, 9-fluoro-11beta-hydroxy-17-methyl-

U 6040

Ultandren

Ultandrene

UNII-9JU12S4YFY

USP)

ZINC03875484

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 5.39 -8.66 2 3 0 58 336.447 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 240 Acros Organics
ALOGPS_SOLUBILITY 4.52e-02 g/l DrugBank-Street Drugs
Patent Database Links EP1537858; EP1538164; EP1580188; EP1717247; EP1803810; EP1862167; EP1900742; EP1938798; EP1990342; US2002165218; US2005002945; US2005130980; US2006014755; US2006030555; US2006035945; US2006040958; US2006041131; US2006069103; US2006094706; US2006106023; US ChEBI
H phrase H361d: Suspected of damaging the unborn child Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
R phrase R63: Possible risk of harm to the unborn child. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 4 0.49 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 6 0.48 Binding ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ANDR-2-E Androgen Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 5.7 0.48 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 5.7 0.48 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 0.3 0.56 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

Analogs ( Draw Identity 99% 90% 80% 70% )