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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)-

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
  • Download
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
PRIMARY
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
PRIMARY
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
PRIMARY