EcoDrugPlus


Trade Names	BUTOCONAZOLE NITRATE FEMSTAT FEMSTAT 3 GYNAZOLE-1
Synonyms	Butoconazole nitrate Femstat Femstat 3 Gynazole Gynazole-1 RS-35887 RS-35887-00-10-3
Status
Molecule Category	Salt-form
UNII	4805237NP5
EPA CompTox	DTXSID6045452

Trade Names

BUTOCONAZOLE NITRATE

FEMSTAT

FEMSTAT 3

GYNAZOLE-1

Synonyms

Butoconazole nitrate

Femstat

Femstat 3

Gynazole

Gynazole-1

RS-35887

RS-35887-00-10-3

Status

Molecule Category

Salt-form

UNII

4805237NP5

EPA CompTox

DTXSID6045452


InChI Key	ZHPWRQIPPNZNML-UHFFFAOYSA-N
Smiles	Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O
InChI	InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)

InChI Key

ZHPWRQIPPNZNML-UHFFFAOYSA-N

Smiles

Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O

InChI

InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)

Property Name	Value
Molecular Formula	C19H18Cl3N3O3S
Molecular Weight	474.8
AlogP	6.64
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	17.82
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H18Cl3N3O3S

Molecular Weight

474.8

AlogP

6.64

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

17.82

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

25.0

Mechanism of Action	Action	Reference
Cytochrome P450 51 inhibitor	INHIBITOR	KEGG PubMed FDA

Mechanism of Action

Action

Reference

Cytochrome P450 51 inhibitor

INHIBITOR

KEGG PubMed FDA

Resources	Reference
ChEBI	3241
ChEMBL	CHEMBL1200398
FDA SRS	4805237NP5
KEGG	C08066
PubChem	47471
SureChEMBL	SCHEMBL41394

Resources

Reference

ChEBI

ChEMBL

FDA SRS

KEGG

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

BUTOCONAZOLE NITRATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References