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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16F2N4O2S.ClH
Molecular Weight 426.868
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-2886721 HYDROCHLORIDE

SMILES

Cl.[H][C@@]12COC[C@@]1(N=C(N)SC2)C3=C(F)C=CC(NC(=O)C4=NC=C(F)C=C4)=C3

InChI

InChIKey=JHHMCINLHBUFHB-GHDSXOKHSA-N
InChI=1S/C18H16F2N4O2S.ClH/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18;/h1-6,10H,7-9H2,(H2,21,24)(H,23,25);1H/t10-,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C18H16F2N4O2S
Molecular Weight 390.407
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:34 UTC 2023
Edited
by admin
on Sat Dec 16 05:14:34 UTC 2023
Record UNII
HW8GJY7V7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-2886721 HYDROCHLORIDE
Common Name English
LY2886721 HYDROCHLORIDE
Code English
2-PYRIDINECARBOXAMIDE, N-(3-((4AS,7AS)-2-AMINO-5,7-DIHYDRO-4H-FURO(3,4-D)(1,3)THIAZIN-7A(4AH)-YL)-4-FLUOROPHENYL)-5-FLUORO-, HYDROCHLORIDE (1:1)
Common Name English
LY 2886721 HYDROCHLORIDE SALT
Code English
N-(3-((4AS,7AS)-2-AMINO-5,7-DIHYDRO-4H-FURO(3,4-D)(1,3)THIAZIN-7A(4AH)-YL)-4-FLUOROPHENYL)-5-FLUORO-2-PYRIDINECARBOXAMIDE HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
HW8GJY7V7R
Created by admin on Sat Dec 16 05:14:34 UTC 2023 , Edited by admin on Sat Dec 16 05:14:34 UTC 2023
PRIMARY
SMS_ID
100000175602
Created by admin on Sat Dec 16 05:14:34 UTC 2023 , Edited by admin on Sat Dec 16 05:14:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID10155116
Created by admin on Sat Dec 16 05:14:34 UTC 2023 , Edited by admin on Sat Dec 16 05:14:34 UTC 2023
PRIMARY
CAS
1262036-49-6
Created by admin on Sat Dec 16 05:14:34 UTC 2023 , Edited by admin on Sat Dec 16 05:14:34 UTC 2023
PRIMARY
PUBCHEM
50902942
Created by admin on Sat Dec 16 05:14:34 UTC 2023 , Edited by admin on Sat Dec 16 05:14:34 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY