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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26F3NO7
Molecular Weight 473.4395
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CE-156811

SMILES

C\C(=C/C1=CC(F)=C(OC[C@H](F)C2CC2)C=C1F)C(=O)N[C@@H]3[C@H](O)[C@H]4OCO[C@H]4[C@@H](O)[C@@H]3O

InChI

InChIKey=SIOAQNNLFVHYDC-KURXJLPMSA-N
InChI=1S/C22H26F3NO7/c1-9(22(30)26-16-17(27)19(29)21-20(18(16)28)32-8-33-21)4-11-5-13(24)15(6-12(11)23)31-7-14(25)10-2-3-10/h4-6,10,14,16-21,27-29H,2-3,7-8H2,1H3,(H,26,30)/b9-4+/t14-,16-,17+,18-,19-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26F3NO7
Molecular Weight 473.4395
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:22:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:22:15 GMT 2023
Record UNII
3J699WVT3X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CE-156811
Common Name English
D-NEO-INOSITOL, 5-(((2E)-3-(4-((2R)-2-CYCLOPROPYL-2-FLUOROETHOXY)-2,5-DIFLUOROPHENYL)-2-METHYL-1-OXO-2-PROPEN-1-YL)AMINO)-5-DEOXY-1,2-O-METHYLENE-
Systematic Name English
Code System Code Type Description
PUBCHEM
72941976
Created by admin on Sat Dec 16 09:22:15 GMT 2023 , Edited by admin on Sat Dec 16 09:22:15 GMT 2023
PRIMARY
FDA UNII
3J699WVT3X
Created by admin on Sat Dec 16 09:22:15 GMT 2023 , Edited by admin on Sat Dec 16 09:22:15 GMT 2023
PRIMARY
CAS
1053265-28-3
Created by admin on Sat Dec 16 09:22:15 GMT 2023 , Edited by admin on Sat Dec 16 09:22:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY