1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-octanamido-3-(pyrrolidin-1-yl)propyl octanoate, (1R,2R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H50N2O5
Molecular Weight	530.7391
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-octanamido-3-(pyrrolidin-1-yl)propyl octanoate, (1R,2R)-

Structure Search

SMILES

CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](OC(=O)CCCCCCC)C2=CC=C3OCCOC3=C2

InChI

InChIKey=WMQLMDJNHZLPPC-MXBOTTGLSA-N

InChI=1S/C31H50N2O5/c1-3-5-7-9-11-15-29(34)32-26(24-33-19-13-14-20-33)31(38-30(35)16-12-10-8-6-4-2)25-17-18-27-28(23-25)37-22-21-36-27/h17-18,23,26,31H,3-16,19-22,24H2,1-2H3,(H,32,34)/t26-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H50N2O5
Molecular Weight	530.7391
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 19:34:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:34:44 GMT 2023`
Record UNII	CXC643WW4U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-octanamido-3-(pyrrolidin-1-yl)propyl octanoate, (1R,2R)-

Systematic Name

English

Eliglustat O-octonyl dimer

Common Name

English

(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(1-oxooctyl)amino]-3-(1-pyrrolidinyl)propyl octanoate

Systematic Name

English

Octanoic acid, (1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-oxooctyl)amino]-3-(1-pyrrolidinyl)propyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

CXC643WW4U

Created by admin on Sat Dec 16 19:34:44 GMT 2023 , Edited by admin on Sat Dec 16 19:34:44 GMT 2023

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PUBCHEM

129067537

Created by admin on Sat Dec 16 19:34:44 GMT 2023 , Edited by admin on Sat Dec 16 19:34:44 GMT 2023

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CAS

2193052-06-9

Created by admin on Sat Dec 16 19:34:44 GMT 2023 , Edited by admin on Sat Dec 16 19:34:44 GMT 2023

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