ORCONAZOLE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H15Cl3N2O
Molecular Weight	381.684
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ORCONAZOLE

Structure Search

SMILES

ClC1=CC=C(C=C1)C(CN2C=CN=C2)OCC3=C(Cl)C=CC=C3Cl

InChI

InChIKey=PBNSEYNKZBMLLY-UHFFFAOYSA-N

InChI=1S/C18H15Cl3N2O/c19-14-6-4-13(5-7-14)18(10-23-9-8-22-12-23)24-11-15-16(20)2-1-3-17(15)21/h1-9,12,18H,10-11H2

HIDE SMILES / InChI

Molecular Formula	C18H15Cl3N2O
Molecular Weight	381.684
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: Elks J., The Dictionary of Drugs: Chemical Data: Chemical Data, Structures, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA905&lpg=PA905&dq=ORCONAZOLE&source=bl&ots=6JUeu6Rwuw&sig=ACfU3U2lo4ZlrMTDg2H8ZYe4wauZrz3_0Q&hl=ru&sa=X&ved=2ahUKEwiz4JCHkPDiAhUIxqYKHXX-B944ChDoATAGegQICBAB#v=onepage&q=ORCONAZOLE&f=false

Orconazole, an imidazole derivative, was developed by Janssen Pharmaceutical as an antifungal agent, however, this drug has never been marketed

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:40:41 GMT 2025` Edited by `admin` on `Mon Mar 31 18:40:41 GMT 2025`
Record UNII	1AEW4KBV9O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORCONAZOLE

Official Name

English

(±)-1(P-CHLORO-.BETA.-((2,6-DICHLOROBENZYL)OXY)PHENETHYL)IMIDAZOLE

Preferred Name

English

1H-IMIDAZOLE, 1-(2-(4-CHLOROPHENYL)-2-((2,6-DICHLOROPHENYL)METHOXY)ETHYL)-

Systematic Name

English

orconazole [INN]

Common Name

English

Orconazole [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C514

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

Code System Code Type Description

NCI_THESAURUS

C97994

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

INN

4517

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

FDA UNII

1AEW4KBV9O

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

EPA CompTox

DTXSID50867246

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

CAS

66778-37-8

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

ChEMBL

CHEMBL2110698

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

EVMPD

SUB09458MIG

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

SMS_ID

100000083326

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

PUBCHEM

167461

Created by admin on Mon Mar 31 18:40:41 GMT 2025 , Edited by admin on Mon Mar 31 18:40:41 GMT 2025

PRIMARY

Related Record Type Details


					5PDH5H9S2D

ORCONAZOLE NITRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					1AEW4KBV9O

ACTIVE MOIETY