Siponimod, (Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H35F3N2O3
Molecular Weight	516.595
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(\C)=N/OCC3=CC=C(C4CCCCC4)C(=C3)C(F)(F)F

InChI

InChIKey=KIHYPELVXPAIDH-APTWKGOFSA-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-

HIDE SMILES / InChI

Molecular Formula	C29H35F3N2O3
Molecular Weight	516.595
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 20:13:25 GMT 2023` Edited by `admin` on `Sat Dec 16 20:13:25 GMT 2023`
Record UNII	H9MNX2QX4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Siponimod, (Z)-

Common Name

English

Siponimod Z-isomer

Common Name

English

1-[[4-[(1Z)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-3-azetidinecarboxylic acid

Systematic Name

English

3-Azetidinecarboxylic acid, 1-[[4-[(1Z)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-

Systematic Name

English

Code System Code Type Description

CAS

2768181-14-0

Created by admin on Sat Dec 16 20:13:25 GMT 2023 , Edited by admin on Sat Dec 16 20:13:25 GMT 2023

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PUBCHEM

11432307

Created by admin on Sat Dec 16 20:13:25 GMT 2023 , Edited by admin on Sat Dec 16 20:13:25 GMT 2023

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FDA UNII

H9MNX2QX4P

Created by admin on Sat Dec 16 20:13:25 GMT 2023 , Edited by admin on Sat Dec 16 20:13:25 GMT 2023

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