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Details

Stereochemistry ACHIRAL
Molecular Formula C27H30N4O4.C2H4O3
Molecular Weight 550.6029
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-368842 GLYCOLATE

SMILES

OCC(O)=O.CC(C)(CC1=CC=C(OC2=NC=C(C=C2)C(N)=O)C=C1)NC[C@H](O)COC3=C4C=CNC4=CC=C3

InChI

InChIKey=JDQMRAJJRYCERQ-BDQAORGHSA-N
InChI=1S/C27H30N4O4.C2H4O3/c1-27(2,31-16-20(32)17-34-24-5-3-4-23-22(24)12-13-29-23)14-18-6-9-21(10-7-18)35-25-11-8-19(15-30-25)26(28)33;3-1-2(4)5/h3-13,15,20,29,31-32H,14,16-17H2,1-2H3,(H2,28,33);3H,1H2,(H,4,5)/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C2H4O3
Molecular Weight 76.0514
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H30N4O4
Molecular Weight 474.5515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 00:01:44 UTC 2023
Edited
by admin
on Thu Jul 06 00:01:44 UTC 2023
Record UNII
8RH45G4F5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-368842 GLYCOLATE
Common Name English
Code System Code Type Description
FDA UNII
8RH45G4F5T
Created by admin on Thu Jul 06 00:01:44 UTC 2023 , Edited by admin on Thu Jul 06 00:01:44 UTC 2023
PRIMARY
PUBCHEM
9829004
Created by admin on Thu Jul 06 00:01:44 UTC 2023 , Edited by admin on Thu Jul 06 00:01:44 UTC 2023
PRIMARY
CAS
340784-55-6
Created by admin on Thu Jul 06 00:01:44 UTC 2023 , Edited by admin on Thu Jul 06 00:01:44 UTC 2023
PRIMARY
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