Siponimod Fumaric Acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C29H35F3N2O3.C4H4O4
Molecular Weight	1149.2622
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CCC1=CC(=CC=C1CN2CC(C2)C(O)=O)C(\C)=N\OCC3=CC=C(C4CCCCC4)C(=C3)C(F)(F)F.CCC5=CC(=CC=C5CN6CC(C6)C(O)=O)C(\C)=N\OCC7=CC=C(C8CCCCC8)C(=C7)C(F)(F)F

InChI

InChIKey=JNLIKIBISICTMS-PEJBKAKVSA-N

InChI=1S/2C29H35F3N2O3.C4H4O4/c2*1-3-21-14-23(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;5-3(6)1-2-4(7)8/h2*9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36);1-2H,(H,5,6)(H,7,8)/b2*33-19+;2-1+

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

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

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 14:38:40 UTC 2023` Edited by `admin` on `Sat Dec 16 14:38:40 UTC 2023`
Record UNII	Z7G02XZ0M6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Siponimod Fumaric Acid

Common Name

English

SIPONIMOD HEMIFUMARIC ACID

Preferred Name

English

Siponimod hemifumarate

Preferred Name

English

SIPONIMOD FUMARATE

Common Name

English

Mayzent

Brand Name

English

SIPONIMOD FUMARIC ACID [JAN]

Common Name

English

Siponimod fumarate [WHO-DD]

Common Name

English

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

Systematic Name

English

NVP-BAF312-AEA

Code

English

Bis-[1-({4-[(1E)-1-({[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}imino)ethyl]-2-ethylphenyl}methyl)azetidine-3-carboxylic acid] (2E)-but-2-enedioate

Systematic Name

English

Code System Code Type Description

SMS_ID

100000178213