DIFETEROL PHOSPHATE

Details

Stereochemistry	MIXED
Molecular Formula	C25H29NO2.H3O4P
Molecular Weight	473.4984
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.CC(C(O)C1=CC=CC=C1)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=GZECPKFYQHSCEV-UHFFFAOYSA-N

InChI=1S/C25H29NO2.H3O4P/c1-20(24(27)21-12-6-3-7-13-21)26(2)18-19-28-25(22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-5(2,3)4/h3-17,20,24-25,27H,18-19H2,1-2H3;(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C25H29NO2
Molecular Weight	375.5033
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

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

Description
Sources: http://www.google.com/patents/WO2005094832A1?cl=en
Curator's Comment: Description was created based on several sources, including http://www.google.com/patents/US20040259955

Antihistamine agent

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ebola virus entry into HeLa cells 3 Target ID: Ebola virus entry into HeLa cells Sources: https://www.ncbi.nlm.nih.gov/pubmed/26038505	Inhibitor 8297		5.44 µM [IC50]
Histamine H1 receptor 315 Target ID: CHEMBL231 Sources: http://www.google.com/patents/WO2005094832A1?cl=en \| http://www.google.is/patents/WO2005117895A2?cl=en	Antagonist 2778

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cough 106 Sources: http://www.pref.kanagawa.jp/uploaded/attachment/820136.pdf	Primary		Preclinical	Unknown Approved Use Unknown

Patents

Sample Use Guides

In Vivo Use Guide

A daily combination dosage of difeterol hydrochloride and difeterol phosphate for an adult is usually between 5 and 180 mg, preferably between 10 and 135 mg, more preferably between 18 and 90 mg.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:18:22 GMT 2023` Edited by `admin` on `Sat Dec 16 06:18:22 GMT 2023`
Record UNII	9F8714PSRG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIFETEROL PHOSPHATE

Common Name

English

DIFETEROL PHOSPHATE [JAN]

Common Name

English

DIFETEROL MONOPHOSPHATE

Common Name

English

BENZENEMETHANOL, .ALPHA.-(1-((2-(DIPHENYLMETHOXY)ETHYL)METHYLAMINO)ETHYL)-, PHOSPHATE (SALT)

Common Name

English

Code System Code Type Description

FDA UNII

9F8714PSRG

Created by admin on Sat Dec 16 06:18:23 GMT 2023 , Edited by admin on Sat Dec 16 06:18:23 GMT 2023

PRIMARY

PUBCHEM

53297470

Created by admin on Sat Dec 16 06:18:23 GMT 2023 , Edited by admin on Sat Dec 16 06:18:23 GMT 2023

PRIMARY

CAS

866550-55-2

Created by admin on Sat Dec 16 06:18:23 GMT 2023 , Edited by admin on Sat Dec 16 06:18:23 GMT 2023

NON-SPECIFIC STOICHIOMETRY

Related Record Type Details


					A2P950OCL0

DIFETEROL

PARENT -> SALT/SOLVATE

Related Record Type Details


					A2P950OCL0

DIFETEROL

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: http://www.google.com/patents/WO2005094832A1?cl=enCurator's Comment: Description was created based on several sources, including http://www.google.com/patents/US20040259955

Approval Year

Targets

Conditions

Approved Use

Patents

Sample Use Guides

Description
Sources: http://www.google.com/patents/WO2005094832A1?cl=en
Curator's Comment: Description was created based on several sources, including http://www.google.com/patents/US20040259955