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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34N2O5
Molecular Weight 454.5586
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLIVABRADINE

SMILES

COC1=C(OC)C=C2[C@@H](CNCCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1

InChI

InChIKey=NMQMGNXUIKUPAF-HXUWFJFHSA-N
InChI=1S/C26H34N2O5/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20/h11-13,15,20,27H,5-10,14,16H2,1-4H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H34N2O5
Molecular Weight 454.5586
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including http://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/206143Orig1s000PharmR.pdf | https://www.ncbi.nlm.nih.gov/pubmed/26202095

N-Demethyl Ivabradine Hydrochloride is an active metabolite of Ivabradine. Ivabradine protects myocardium in acute ischemic conditions and has favorably sustained remo- deling properties in the long term. N-dealkylated metabolite has also been shown to decrease heart rate in pre-clinical studies when administered to dogs

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

Unpublished studies showed that this metabolite (N-DEMETHYL IVABRADINE) reduced heart rate in conscious dogs by decreasing sinus node activity after oral and intravenous administrations,
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Thu Jul 06 19:31:27 UTC 2023
Edited
by admin
on Thu Jul 06 19:31:27 UTC 2023
Record UNII
K5FVD8PS01
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYLIVABRADINE
Common Name English
2H-3-BENZAZEPIN-2-ONE, 3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)AMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-
Systematic Name English
3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)AMINO)PROPYL)-1,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE
Systematic Name English
IVABRADINE HYDROCHLORIDE IMPURITY IV
Common Name English
S-18982
Code English
Code System Code Type Description
PUBCHEM
10389261
Created by admin on Thu Jul 06 19:31:27 UTC 2023 , Edited by admin on Thu Jul 06 19:31:27 UTC 2023
PRIMARY
FDA UNII
K5FVD8PS01
Created by admin on Thu Jul 06 19:31:27 UTC 2023 , Edited by admin on Thu Jul 06 19:31:27 UTC 2023
PRIMARY
CAS
215935-23-2
Created by admin on Thu Jul 06 19:31:27 UTC 2023 , Edited by admin on Thu Jul 06 19:31:27 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Related Record Type Details
PARENT -> IMPURITY