3-METHOXYTRAXOPRODIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO4
Molecular Weight	357.4434
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

COC1=C(O)C=CC(=C1)[C@H](O)[C@H](C)N2CCC(O)(CC2)C3=CC=CC=C3

InChI

InChIKey=CAGLIAGCBUSTQI-MGPUTAFESA-N

InChI=1S/C21H27NO4/c1-15(20(24)16-8-9-18(23)19(14-16)26-2)22-12-10-21(25,11-13-22)17-6-4-3-5-7-17/h3-9,14-15,20,23-25H,10-13H2,1-2H3/t15-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO4
Molecular Weight	357.4434
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	10DO3K28LK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRAXOPRODIL METABOLITE M13

Preferred Name

English

3-METHOXYTRAXOPRODIL

Common Name

English

(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(4-HYDROXY-3-METHOXYPHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL

Systematic Name

English

1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXY-3-METHOXYPHENYL)-.BETA.-METHYL-4-PHENYL-, (.ALPHA.S,.BETA.S)-

Systematic Name

English

(1S,2S)-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)PROPAN-1-OL

Systematic Name

English

Showing 1 to 5 of 5 entries

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Code System

Code

Type

Description

FDA UNII

10DO3K28LK

PRIMARY

PUBCHEM

10132979

PRIMARY

CAS

178457-09-5

PRIMARY

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Related Record

Type

Details


					UTC046R5HM

TRAXOPRODIL

PARENT -> METABOLITE

Comments:

IN EXTENSIVE METABOLIZERS

Qualification:

URINE

Amount:

1.89 % [1.81 to 1.97] (average)
of Administered Dose


					UTC046R5HM

TRAXOPRODIL

PARENT -> METABOLITE

Comments:

IN EXTENSIVE METABOLIZERS

Qualification:

FECAL

Amount:

1.11 % [0.74 to 1.48] (average)
of Administered Dose


					UTC046R5HM

TRAXOPRODIL

PARENT -> METABOLITE

Comments:

IN EXTENSIVE METABOLIZERS AT 6H

Qualification:

PLASMA

Amount:

5.2 % [4.6 to 5.8] (average)

Showing 1 to 3 of 3 entries

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC	2.4 hours [2.1 to 2.7] (average)			IN CYP2D6 PHENOTYPE: EXTENSIVE METABOLIZERS