DISOPHENOL SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H2I2NO3.Na
Molecular Weight	412.8837
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[O-]C1=C(I)C=C(C=C1I)[N+]([O-])=O

InChI

InChIKey=SRSIPZANKZYBTO-UHFFFAOYSA-M

InChI=1S/C6H3I2NO3.Na/c7-4-1-3(9(11)12)2-5(8)6(4)10;/h1-2,10H;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C6H2I2NO3
Molecular Weight	389.8939
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/588311 | https://www.gpo.gov/fdsys/pkg/CFR-1996-title21-vol6/pdf/CFR-1996-title21-vol6-sec522-740.pdf

Disophenol is a drug used in veterinary medicine recommended for use in the treatment of dogs infested with hook worms (Ancylostoma caninum, A. braziliense and Uncinuriu stenocephala) and cats infested with the hookworm A. tubaeforme.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ancylostoma caninum 2 Target ID: Ancylostoma caninum Sources: https://www.gpo.gov/fdsys/pkg/CFR-1996-title21-vol6/pdf/CFR-1996-title21-vol6-sec522-740.pdf	Inhibitor 8504
Uncinaria stenocephala 2 Target ID: Uncinaria stenocephala Sources: https://www.gpo.gov/fdsys/pkg/CFR-1996-title21-vol6/pdf/CFR-1996-title21-vol6-sec522-740.pdf	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Helminthiasis 39 Sources: https://www.gpo.gov/fdsys/pkg/CFR-1996-title21-vol6/pdf/CFR-1996-title21-vol6-sec522-740.pdf https://www.ncbi.nlm.nih.gov/pubmed/5730548 https://www.ncbi.nlm.nih.gov/pubmed/14008172	Curative		Approved 8583	ANCYLOL Approved Use The drug is used for the treatment of both dogs infested with hookworms (including Ancylostoma caninum, A. braziliense and Uncinaria stenocephala) and cats infested with the hookworm A. tubaeforme. Launch Date 1964

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252 inducer 1087	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP19A1 429	P-gp 2052

Drug as perpetrator

Target	Modality	Activity
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 4.0	inconclusive [IC50 21.3174 uM]
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 2.0	no [IC50 10.684 uM]
CYP19A1 430	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 36.0	no
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 41.0	no
CYP3A4 2633	inducer 1966 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 39.0	no

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 2052	substrate 4014 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 7 \| 40	inconclusive

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/9370#section=Biological-Test-Results Page: 27.0

PubMed

Title	Date	PubMed
2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo-nitro interactions and aromatic pi-pi-stacking interactions to give supramolecular structures in one, two and three dimensions.	2002-08	12154300

Patents

Sample Use Guides

In Vivo Use Guide

Dogs and cats: Disophenol is administered subcutaneously at a dosage level equivalent to 4.5 milligrams of disophenol per pound of body weight. A second treatment may be indicated 21 days after the initial treatment.

Route of Administration: Other

In Vitro Use Guide

Disophenol produced contracture of the rat cardiac muscle at concentrations of 100 and 1000 ng/ml and at the latter dose diastolic tension after 60 min perfusion was approximately 300 per cent of its initial value.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:04:41 GMT 2025` Edited by `admin` on `Mon Mar 31 20:04:41 GMT 2025`
Record UNII	JOS947MY69
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISOPHENOL SODIUM [GREEN BOOK]

Preferred Name

English

DISOPHENOL SODIUM

Common Name

English

SODIUM, (2,6-DIIODO-4-NITROPHENOXY)-

Systematic Name

English

PHENOL, 2,6-DIIODO-4-NITRO-, SODIUM SALT (1:1)

Common Name

English

Code System Code Type Description

CAS

89465-91-8

Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025

PRIMARY

EPA CompTox

DTXSID50237748

Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025

PRIMARY

PUBCHEM

14339440

Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025

PRIMARY

FDA UNII

JOS947MY69

Created by admin on Mon Mar 31 20:04:41 GMT 2025 , Edited by admin on Mon Mar 31 20:04:41 GMT 2025

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/588311 | https://www.gpo.gov/fdsys/pkg/CFR-1996-title21-vol6/pdf/CFR-1996-title21-vol6-sec522-740.pdf

Originator

Approval Year

Targets

Conditions

Approved Use

Launch Date

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Tox targets

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/588311 | https://www.gpo.gov/fdsys/pkg/CFR-1996-title21-vol6/pdf/CFR-1996-title21-vol6-sec522-740.pdf

Drug as perpetrator