CALDARET MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16N2O3S.H2O
Molecular Weight	274.337
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC1=CC(=C(C=C1)N2CCNCC2)S(O)(=O)=O

InChI

InChIKey=ZRQKZWAOIRVBFD-UHFFFAOYSA-N

InChI=1S/C11H16N2O3S.H2O/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C11H16N2O3S
Molecular Weight	256.321
Charge	0
Count

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

Description
Sources: https://clinicaltrials.gov/ct2/show/NCT00078013 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19970618&CC=EP&NR=0779283A1&KC=A1 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20030213&CC=WO&NR=03011296A1&KC=A1

Caldaret is intracardiac calcium (Ca2+) handling modulator whose cardioprotective actions are presumed to be due to inhibition of the NCX exchanger and increasing the uptake of Ca2+ via the sarcoplasmic reticulum (SR). Unfortunately, Caldaret failed to demonstrate efficacy in Phase II clinical trials as an adjunct to standard therapy with primary percutaneous coronary intervention patients diagnosed as having an acute myocardial infarction

Originator

Approval Year

PubMed

Title	Date	PubMed
A phase II, double-blind, randomized, placebo-controlled, dose comparative study of the efficacy, tolerability, and safety of MCC-135 in subjects with chronic heart failure, NYHA class II/III (MCC-135-GO1 study): rationale and design.	2004 Jun	15190528
Breast-feeding may reduce later blood pressure.	2004 Mar 16	15023898
Results of the first clinical study of adjunctive CAldaret (MCC-135) in patients undergoing primary percutaneous coronary intervention for ST-Elevation Myocardial Infarction: the randomized multicentre CASTEMI study.	2006 Nov	17030521
Caldaret, an intracellular Ca2+ handling modulator, limits infarct size of reperfused canine heart.	2007 Feb	17299242
Effect of caldaret on the incidence of severe left ventricular dysfunction in patients with ST-elevation myocardial infarction undergoing primary coronary intervention.	2009 Jan 1	19101220

Patents

Sample Use Guides

In Vivo Use Guide

4.5 mg/kg/48 hours

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:49:11 GMT 2023` Edited by `admin` on `Fri Dec 15 15:49:11 GMT 2023`
Record UNII	2SH110E854
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALDARET MONOHYDRATE

Common Name

English

MCC-135

Common Name

English

BENZENESULFONIC ACID, 5-METHYL-2-(1-PIPERAZINYL)-, MONOHYDRATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20431256