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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C24H27F5N8O4.C2H6O6S2
Molecular Weight 1363.224
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-3509754 HEMIEDISYLATE

SMILES

OS(=O)(=O)CCS(O)(=O)=O.COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)C2=CC3=NC(=CN3N=C2)[C@@H](NC(=O)C4=NON=C4C)C5CCC(F)(F)CC5.COC[C@@H](N6C[C@H](NC6=O)C(F)(F)F)C7=CC8=NC(=CN8N=C7)[C@@H](NC(=O)C9=NON=C9C)C%10CCC(F)(F)CC%10

InChI

InChIKey=HQHIJGMZUUWOEK-JKGLTBBLSA-N
InChI=1S/2C24H27F5N8O4.C2H6O6S2/c2*1-12-19(35-41-34-12)21(38)33-20(13-3-5-23(25,26)6-4-13)15-9-37-18(31-15)7-14(8-30-37)16(11-40-2)36-10-17(24(27,28)29)32-22(36)39;3-9(4,5)1-2-10(6,7)8/h2*7-9,13,16-17,20H,3-6,10-11H2,1-2H3,(H,32,39)(H,33,38);1-2H2,(H,3,4,5)(H,6,7,8)/t2*16-,17+,20+;/m11./s1

HIDE SMILES / InChI

Molecular Formula C24H27F5N8O4
Molecular Weight 586.5144
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2H6O6S2
Molecular Weight 190.195
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 Wed Apr 02 07:40:01 GMT 2025
Edited
by admin
on Wed Apr 02 07:40:01 GMT 2025
Record UNII
4CU0I38N9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY3509754.HEMI-EDISYLATE
Preferred Name English
LY-3509754 HEMIEDISYLATE
Code English
1,2-Ethanedisulfonic acid, compd. with N-[(S)-(4,4-difluorocyclohexyl)[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)-1-imidazolidinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (1:2)
Systematic Name English
Code System Code Type Description
SMS_ID
300000025452
Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025
PRIMARY
CAS
2452464-74-1
Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025
PRIMARY
PUBCHEM
171389992
Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025
PRIMARY
FDA UNII
4CU0I38N9Z
Created by admin on Wed Apr 02 07:40:01 GMT 2025 , Edited by admin on Wed Apr 02 07:40:01 GMT 2025
PRIMARY
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