VALCONAZOLE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Possibly Marketed Outside US

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H18Cl2N2O2
Molecular Weight	341.232
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VALCONAZOLE

Structure Search

SMILES

CC(C)(C)C(=O)C(CN1C=CN=C1)OC2=CC=C(Cl)C=C2Cl

InChI

InChIKey=JDSGUKVHXNGRIP-UHFFFAOYSA-N

InChI=1S/C16H18Cl2N2O2/c1-16(2,3)15(21)14(9-20-7-6-19-10-20)22-13-5-4-11(17)8-12(13)18/h4-8,10,14H,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C16H18Cl2N2O2
Molecular Weight	341.232
Charge	0
Count

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

Description
Sources: https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_22

Valconazole is an experimental antimycotic drug developed by Bayer in 1970s.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:45:03 GMT 2023` Edited by `admin` on `Fri Dec 15 18:45:03 GMT 2023`
Record UNII	3EVI8KD2BC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALCONAZOLE

Official Name

English

valconazole [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C514

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID70866534

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

PRIMARY

ChEMBL

CHEMBL2104459

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

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PUBCHEM

3016731

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

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CAS

56097-80-4

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

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SMS_ID

100000079140

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

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NCI_THESAURUS

C72966

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

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EVMPD

SUB00004MIG

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

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FDA UNII

3EVI8KD2BC

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

PRIMARY

INN

4529

Created by admin on Fri Dec 15 18:45:03 GMT 2023 , Edited by admin on Fri Dec 15 18:45:03 GMT 2023

PRIMARY

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					1ON8YSO424

VALCONAZOLE, (S)-

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					34HAJ775OO

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ENANTIOMER -> RACEMATE

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					3EVI8KD2BC

ACTIVE MOIETY