UCSF

ZINC00643153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 No

CAS Number: 65277-42-1

Other Names:

(+)-Ketoconazole

(+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1- ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine; CPD-4503; fungarest; fungoral; ketoconazol; ketoconazole; ketoderm; ketoisdin; nizoral; orifungal M; panfungol; piperazine, 1-acetyl-4-(4

(+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1- ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine;cis-1-Acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H- imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-ketoconazol;Fungarest;Fungoral;Ke

(+-)-cis-1-Acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine

(+/-)-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine

(+/-)-cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine

(2S,4R)-ketoconazole

conazole

1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE

1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

2%

65277-42-1

65277-42-1; D00351; Ketoconazole (JP16/USP); Nizoral (TN); Xolegel (TN)

79156-75-5

AC-15957

AC1L9UG3

BIDD:GT0696

BIM-0050645.0001

BPBio1_000635

BRD-A76019558-001-01-0

BRD-K29113274-001-03-6

BRN 4303081

BSPBio_000577

C26H28Cl2N4O4

CHEBI:48336

CHEMBL75

CID456201

CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE

cis-1-Acetyl-4-[4-[[2-(2,4-

cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine

CORT-001

CPD000058460

DAP000630

dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-piperazine

EINECS 265-667-4

EU-0100666

Extina

FDA

Fungarest

Fungoral

HMS1569M19

HMS2051A19

HMS2089N05

HSDB 7447

INN

JAN

K 1003

K0045

K1003_SIGMA

KCZ

Ketocanazole

Ketoconazol

Ketoconazol [INN-Spanish]

Ketoconazole (BAN

Ketoconazole [Usan:Ban:Inn:Jan]

Ketoconazole [USAN:INN:BAN:JAN]

Ketoconazolum [INN-Latin]

Ketoderm

Ketoisdin

Ketozole

KS-1205

KTZ

KW-1414

KZ

LS-110149

MLS000069784

MLS000758224

MLS001146934

MLS002207053

MLS002222255

MolPort-003-848-307

NCGC00025000-01

NCGC00025000-02

NCGC00025000-03

NCGC00025000-04

NCGC00025000-05

NCGC00025000-06

NCGC00025000-07

NCGC00025000-08

NCGC00025000-09

Nizoral

Nizoral a-D

Nizoral a-D Shampoo

Nizoral Cream

Nizoral Shampoo

Nizoral, Extina, Xolegel, Kuric, Ketoconazole

NSC 317629

NSC317629

Orifungal

Orifungal M

Panfungol

Piperazine, (+)-1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-

Piperazine, (+/-)-1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-

Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-

Prestwick0_000389

Prestwick1_000389

Prestwick2_000389

Prestwick3_000389

Prestwick_744

R 41,400

R 41400

R-41400

R41,400

R41400

S1353_Selleck

SAM001246983

Sebazole

SMR000058460

SPBio_002498

Tocris-1103

UC280_SIGMA

UPCMLD-DP138

UPCMLD-DP138:001

USAN

USP)

Xolegel

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) 3.77 12.44 -53.64 1 8 1 70 532.448 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.31e-03 g/l DrugBank-approved

Activity (Go SEA)

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