1-((4-Acetyl-2-ethyl-phenyl)methyl)azetidine-3-carboxylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H19NO3
Molecular Weight	261.3163
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((4-Acetyl-2-ethyl-phenyl)methyl)azetidine-3-carboxylic acid

Structure Search

SMILES

CCC1=C(CN2CC(C2)C(O)=O)C=CC(=C1)C(C)=O

InChI

InChIKey=SRJWRNKGAMJCKO-UHFFFAOYSA-N

InChI=1S/C15H19NO3/c1-3-11-6-12(10(2)17)4-5-13(11)7-16-8-14(9-16)15(18)19/h4-6,14H,3,7-9H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C15H19NO3
Molecular Weight	261.3163
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:21:16 GMT 2025` Edited by `admin` on `Wed Apr 02 13:21:16 GMT 2025`
Record UNII	YRQ6G55UHM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-((4-Acetyl-2-ethyl-phenyl)methyl)azetidine-3-carboxylic acid

Systematic Name

English

SIPONIMOD METABOLITE M1

Preferred Name

English

3-Azetidinecarboxylic acid, 1-[(4-acetyl-2-ethylphenyl)methyl]-

Systematic Name

English

1-[(4-Acetyl-2-ethylphenyl)methyl]-3-azetidinecarboxylic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

154689102

Created by admin on Wed Apr 02 13:21:16 GMT 2025 , Edited by admin on Wed Apr 02 13:21:16 GMT 2025

PRIMARY

CAS

2474774-17-7

Created by admin on Wed Apr 02 13:21:16 GMT 2025 , Edited by admin on Wed Apr 02 13:21:16 GMT 2025

PRIMARY

FDA UNII

YRQ6G55UHM

Created by admin on Wed Apr 02 13:21:16 GMT 2025 , Edited by admin on Wed Apr 02 13:21:16 GMT 2025

PRIMARY

Related Record Type Details


					RR6P8L282I

Siponimod

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL; URINE

Amount: