7-(((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1-YLMETHYL)ETHYL)AMINO)-7-OXO-HEPTANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H32N2O6
Molecular Weight	420.4993
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-(((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1-YLMETHYL)ETHYL)AMINO)-7-OXO-HEPTANOIC ACID

Structure Search

SMILES

O[C@@H]([C@@H](CN1CCCC1)NC(=O)CCCCCC(O)=O)C2=CC=C3OCCOC3=C2

InChI

InChIKey=FYFNLJZHBAYLHM-VGOFRKELSA-N

InChI=1S/C22H32N2O6/c25-20(6-2-1-3-7-21(26)27)23-17(15-24-10-4-5-11-24)22(28)16-8-9-18-19(14-16)30-13-12-29-18/h8-9,14,17,22,28H,1-7,10-13,15H2,(H,23,25)(H,26,27)/t17-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H32N2O6
Molecular Weight	420.4993
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:57:18 GMT 2023` Edited by `admin` on `Sat Dec 16 14:57:18 GMT 2023`
Record UNII	F87D8YTL4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-(((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1-YLMETHYL)ETHYL)AMINO)-7-OXO-HEPTANOIC ACID

Systematic Name

English

GENZ-399207

Code

English

ELIGLUSTAT METABOLITE M25

Common Name

English

Code System Code Type Description

FDA UNII

F87D8YTL4V

Created by admin on Sat Dec 16 14:57:18 GMT 2023 , Edited by admin on Sat Dec 16 14:57:18 GMT 2023

PRIMARY

PUBCHEM

156613688

Created by admin on Sat Dec 16 14:57:18 GMT 2023 , Edited by admin on Sat Dec 16 14:57:18 GMT 2023

PRIMARY

Related Record Type Details


					DR40J4WA67

ELIGLUSTAT

PARENT -> METABOLITE INACTIVE

Qualification:

PLASMA; URINE