SIPONIMOD C-14

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H35F3N2O3
Molecular Weight	518.5876
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=CC(=CC=C1CN2CC(C2)C(O)=O)C(\[14CH3])=N\OCC3=CC=C(C4CCCCC4)C(=C3)C(F)(F)F

InChI

InChIKey=KIHYPELVXPAIDH-IBFJEQGISA-N

InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+/i2+2

HIDE SMILES / InChI

Molecular Formula	C29H35F3N2O3
Molecular Weight	518.5876
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:55:52 GMT 2023` Edited by `admin` on `Sat Dec 16 14:55:52 GMT 2023`
Record UNII	3Q486AE021
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIPONIMOD C-14

Common Name

English

3-AZETIDINECARBOXYLIC ACID, 1-((4-((1E)-1-(((4-CYCLOHEXYL-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)IMINO)2-(14C)ETHYL)-2-ETHYLPHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

1799741-53-9

Created by admin on Sat Dec 16 14:55:52 GMT 2023 , Edited by admin on Sat Dec 16 14:55:52 GMT 2023

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FDA UNII

3Q486AE021

Created by admin on Sat Dec 16 14:55:52 GMT 2023 , Edited by admin on Sat Dec 16 14:55:52 GMT 2023

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PUBCHEM

146048048

Created by admin on Sat Dec 16 14:55:52 GMT 2023 , Edited by admin on Sat Dec 16 14:55:52 GMT 2023

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Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC

BRAIN/PLASMA RATIO	PHARMACOKINETIC	SPECIES BIOLOGICAL

Volume of Distribution	PHARMACOKINETIC