UCSF

ZINC00606383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 Yes

Popular Name: Sertaconazole Sertaconazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 99592-32-2 , 99592-39-9 , [99592-39-9]

Other Names:

( inverted exclamation markA)-1-[2,4-dichloro-b-[(7-chlorobenzo[b]thien-3-yl)methoxy]phenethyl]imidazole

(+-)-1-(2,4-Dichloro-beta-((7-chlorobenzo(b)thien-3-yl)methoxy)phenethyl)imidazole

conazole

1-(2-((7-Chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole

1-[2-[(7-chloro-1-benzothien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate

1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[2-[(7-Chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate

1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid

1-[2-[(7-chlorobenzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid

1H-Imidazole, 1-(2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-

1H-Imidazole, 1-(2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate; Dermofix; Ertaczo; FI 7056; LS-78268; Sertaconazole nitrate; Zalain

1H-imidazole, 1-[2-[(7-chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate (1:1)

7-Chloro-3-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy-methyl)benzo(b)thiophene

7-Chloro-3-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy-methyl]benzo[b]thiophene

7-Cloro-3-(1-(2,4-diclorofenil)-2-(1H-imidazol-1-il)etoxi-metil)benzo(b)tiofeno

7-Cloro-3-(1-(2,4-diclorofenil)-2-(1H-imidazol-1-il)etoxi-metil)benzo(b)tiofeno [Spanish]

99592-32-2

99592-32-2; D06883; Sertaconazole (INN)

99592-39-9 (Nitrate)

99592-39-9; D08510; Ertaczo (TN); Sertaconazole nitrate; Zalain (TN)

AB00514018

AC-6939

AC1L244H

AC1Q3MZP

BPBio1_001068

BRD-A95939040-008-03-3

BRN 5385663

BSPBio_000970

C20H15Cl3N2OS

CID65863

D06883

DAP001270

DB01153

Dermofix

Dermoseptic

Ertaczo

Extens

FI-7045

Fisderm

Ginedermofix

HMS2089M16

INN)

INN); Sertaconazole Nitrate (FDA)

LS-78267

MFCD00868881

MFCD00918063

NCGC00179356-01

Onabet

Prestwick0_001045

Prestwick1_001045

Prestwick2_001045

Prestwick3_001045

QA-5480

Sertaconazol

Sertaconazol [Spanish]

Sertaconazol [Spanish];Sertaconazolum [Latin]

Sertaconazole (BAN

Sertaconazole (INN)

Sertaconazole nitrate

Sertaconazole Nitrate (FDA); Sertaconazole (BAN

Sertaconazole [INN]

Sertaconazolum

Sertaconazolum [Latin]

SPBio_002905

SZ

UNII-72W71I16EG

Zalain

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) 5.97 15.01 -41.33 1 3 1 28 438.787 6 ↓
Mid Mid (pH 6-8) 5.97 14.5 -7.44 0 3 0 27 437.779 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.37e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0457333A3; EP0748806B1; EP0973768A1; US5135943; US5374633; US5578315; US5795909; US5968253; WO1997044063A2; WO1998017246A1; WO1998036731A1; WO1998039305A1; WO1998043970A1; WO1999002523A1; WO1999020271A1; WO1999030690A1; WO2000044353A1; WO2000067732A2 IBM Patent Data

Activity (Go SEA)

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