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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO3
Molecular Weight 327.4174
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRAXOPRODIL

SMILES

C[C@@H]([C@@H](O)C1=CC=C(O)C=C1)N2CCC(O)(CC2)C3=CC=CC=C3

InChI

InChIKey=QEMSVZNTSXPFJA-HNAYVOBHSA-N
InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1

HIDE SMILES / InChI
Molecular Formula C20H25NO3
Molecular Weight 327.4174
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:32:05 UTC 2023
Edited
by admin
on Sat Dec 16 17:32:05 UTC 2023
Record UNII
UTC046R5HM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRAXOPRODIL
INN   WHO-DD  
INN  
Official Name English
1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)-.BETA.-METHYL-4-PHENYL-, (S-(R*,R*))-
Common Name English
CP-101606
Code English
traxoprodil [INN]
Common Name English
(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(P-HYDROXYPHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL
Common Name English
Traxoprodil [WHO-DD]
Common Name English
CP-101,606
Code English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C87769
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
INN
8053
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
SMS_ID
300000034379
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
FDA UNII
UTC046R5HM
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID90158605
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL17350
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
PUBCHEM
219101
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
WIKIPEDIA
TRAXOPRODIL
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
CAS
134234-12-1
Created by admin on Sat Dec 16 17:32:08 UTC 2023 , Edited by admin on Sat Dec 16 17:32:08 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Structure of TRAXOPRODIL
EXCRETED UNCHANGED
IN EXTENSIVE METABOLIZERS
FECAL
GLUTAMATE RECEPTOR IONOTROPIC, NMDA 2B
TARGET -> INHIBITOR
Structure of TRAXOPRODIL MESYLATE
SALT/SOLVATE -> PARENT
Structure of TRAXOPRODIL
EXCRETED UNCHANGED
IN POOR METABOLIZERS
URINE
Structure of TRAXOPRODIL
EXCRETED UNCHANGED
IN POOR METABOLIZERS
FECAL
Structure of TRAXOPRODIL
EXCRETED UNCHANGED
IN EXTENSIVE METABOLIZERS
URINE
Related Record Type Details
Structure of 3-METHOXYTRAXOPRODIL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
FECAL
Structure of (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
METABOLITE -> PARENT
IN POOR METABOLIZERS AT 6H
PLASMA
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS AT 6H
PLASMA
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)-2-METHOXYPHENYL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS AT 6H
PLASMA
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)-2-METHOXYPHENYL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of 3-METHOXYTRAXOPRODIL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS AT 6H
PLASMA
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS AT 6H
PLASMA
Structure of 3-METHOXYTRAXOPRODIL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.BETA.-METHYL-4-PHENYL-.ALPHA.-(4-(SULFOOXY)PHENYL)-1-PIPERIDINEETHANOL
METABOLITE -> PARENT
IN POOR METABOLIZERS AT 2H
PLASMA
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)PHENYL
METABOLITE -> PARENT
IN POOR METABOLIZERS AT 6H
PLASMA
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.BETA.-METHYL-4-PHENYL-.ALPHA.-(4-(SULFOOXY)PHENYL)-1-PIPERIDINEETHANOL
METABOLITE -> PARENT
IN POOR METABOLIZERS
FECAL
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)PHENYL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
METABOLITE -> PARENT
IN POOR METABOLIZERS AT 6H
PLASMA
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.BETA.-METHYL-4-PHENYL-.ALPHA.-(4-(SULFOOXY)PHENYL)-1-PIPERIDINEETHANOL
METABOLITE -> PARENT
IN POOR METABOLIZERS
URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)PHENYL
METABOLITE -> PARENT
IN POOR METABOLIZERS
URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S,2S)-1-HYDROXY-2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPYL)PHENYL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS AT 6H
PLASMA
Related Record Type Details
Structure of TRAXOPRODIL
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC SINGLE DOSE

INTRAVENOUS ADMINISTRATION

IN CYP2D6 PHENOTYPE: EXTENSIVE METABOLIZERS

Tmax PHARMACOKINETIC SINGLE DOSE

INTRAVENOUS ADMINISTRATION

IN CYP2D6 PHENOTYPE: EXTENSIVE METABOLIZERS

Tmax PHARMACOKINETIC IN CYP2D6 PHENOTYPE: POOR METABOLIZERS

INTRAVENOUS ADMINISTRATION

SINGLE DOSE

Biological Half-life PHARMACOKINETIC SINGLE DOSE

IN CYP2D6 PHENOTYPE: POOR METABOLIZERS

INTRAVENOUS ADMINISTRATION

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