FINGOLIMOD HEXANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H27NO4
Molecular Weight	309.4006
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(CO)(CO)CCC1=CC=C(CCCCCC(O)=O)C=C1

InChI

InChIKey=IBOSMSDOOGFKFH-UHFFFAOYSA-N

InChI=1S/C17H27NO4/c18-17(12-19,13-20)11-10-15-8-6-14(7-9-15)4-2-1-3-5-16(21)22/h6-9,19-20H,1-5,10-13,18H2,(H,21,22)

HIDE SMILES / InChI

Molecular Formula	C17H27NO4
Molecular Weight	309.4006
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 04:33:02 GMT 2025` Edited by `admin` on `Wed Apr 02 04:33:02 GMT 2025`
Record UNII	CDR9R2KLH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FINGOLIMOD HEXANOIC ACID

Common Name

English

FINGOLIMOD METABOLITE M2

Preferred Name

English

BENZENEHEXANOIC ACID, 4-[3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL]-

Systematic Name

English

4-[3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL]BENZENEHEXANOIC ACID

Systematic Name

English

6-[4-[3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL]PHENYL]HEXANOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

71316996

Created by admin on Wed Apr 02 04:33:02 GMT 2025 , Edited by admin on Wed Apr 02 04:33:02 GMT 2025

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FDA UNII

CDR9R2KLH4

Created by admin on Wed Apr 02 04:33:02 GMT 2025 , Edited by admin on Wed Apr 02 04:33:02 GMT 2025

PRIMARY

CAS

207113-64-2

Created by admin on Wed Apr 02 04:33:02 GMT 2025 , Edited by admin on Wed Apr 02 04:33:02 GMT 2025

PRIMARY

Related Record Type Details


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FINGOLIMOD

PARENT -> METABOLITE

Amount: