MEDRONATE TRISODIUM TETRAHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	CH3O6P2.3Na.4H2O
Molecular Weight	314.0089
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MEDRONATE TRISODIUM TETRAHYDRATE

SMILES

O.O.O.O.[Na+].[Na+].[Na+].OP([O-])(=O)CP([O-])([O-])=O

InChI

InChIKey=NPZGSDFOXPZGAQ-UHFFFAOYSA-K

InChI=1S/CH6O6P2.3Na.4H2O/c2-8(3,4)1-9(5,6)7;;;;;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;;4*1H2/q;3*+1;;;;/p-3

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count	MOL RATIO 4 MOL RATIO (average)

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

Molecular Formula	CH3O6P2
Molecular Weight	172.9784
Charge	-3
Count	MOL RATIO 1 MOL RATIO (average)

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	MOL RATIO 3 MOL RATIO (average)

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

Description

Medronic acid (conjugate base, medronate) is a diagnostic agent that is used in complex with technetium Tc-99m for imaging delineate areas of altered osteogenesis. Upon administration the complex binds to hydroxyapatite crystals in bone.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Hydroxyapatite crystals in bone 5	Binding Agent 1,076

Conditions

Condition	Modality	Targets	Highest Phase	Product
Altered osteogenesis 7	Diagnostic		Approved 8,583	CIS-MDP

Doses

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Dose	Population	Adverse events
10000 uCi single, intravenous Recommended	unhealthy	Disc. AE: Allergic rash...
16.5 mg 1 times / day multiple, intravenous	unhealthy	Other AEs: Leukocytopenia, Anemia...

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AEs

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AE	Significance	Dose	Population
Allergic rash	Disc. AE	10000 uCi single, intravenous Recommended	unhealthy
Leukocytopenia	1.7%	16.5 mg 1 times / day multiple, intravenous	unhealthy
Nausea	1.7%	16.5 mg 1 times / day multiple, intravenous	unhealthy
Oral ulceration	1.7%	16.5 mg 1 times / day multiple, intravenous	unhealthy
Elevated liver enzymes	3.4%	16.5 mg 1 times / day multiple, intravenous	unhealthy

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inducer 1,087	inhibitor 2,438		inhibitor 2,217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
BCRP 910 P-gp 1,741 UMAT 30 CYP19A1 429 CYP2C19 2,057	P-gp 2,052

Drug as perpetrator

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Target	Modality	Activity
BCRP 985	inhibitor 4,027	no
CYP19A1 430	inhibitor 4,027	no
CYP2C19 2,141	inhibitor 4,027	no
CYP2C9 2,497	inhibitor 4,027	no
CYP3A4 2,633	inducer 1,966	no

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Drug as victim

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Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 2,052	substrate 4,014	no

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Tox targets

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Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2,263	inhibitor 2,237

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PubMed

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Title	Date	PubMed
Cytosolic acidification as a signal mediating hyperosmotic stress responses in Dictyostelium discoideum.	2001	11415467
Bone mineral density in multiple myeloma patients after intravenous clodronate therapy.	2001	11382140
Plasmacytoma of the temporal bone: management with a combination of surgery and radiotherapy.	2001 Dec	11813894
Erdheim-Chester disease with prominent pericardial involvement: clinical, radiologic, and histologic findings.	2002 Aug	12186113
Novel mycophenolic adenine bis(phosphonate) analogues as potential differentiation agents against human leukemia.	2002 Jan 31	11806722

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Patents

Sample Use Guides

In Vivo Use Guide

The suggested dose range of Technetium Tc 99m Medronate Injection in the average adult patient (70 kg) is 370-740 megabecquerels: (10-20 millicuries) given intravenously.

Route of Administration: Intravenous

In Vitro Use Guide

Unknown

Substance Class	Chemical
Record UNII	BTP52VM2H0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHOSPHONIC ACID, METHYLENEBIS-, TRISODIUM SALT, TETRAHYDRATE

Preferred Name

English

MEDRONATE TRISODIUM TETRAHYDRATE

Common Name

English

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Code System

Code

Type

Description

CAS

207556-02-3

PRIMARY

FDA UNII

BTP52VM2H0

PRIMARY

PUBCHEM

71308443

PRIMARY

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Related Record

Type

Details


					5IE00X21WX

MEDRONATE TRISODIUM

ANHYDROUS->SOLVATE

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SMILES

InChI

Originator

Approval Year

Targets

Conditions

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Tox targets

PubMed

Patents

Sample Use Guides

Drug as perpetrator