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Details

Stereochemistry ACHIRAL
Molecular Formula 2C19H26N6O2S.C6H10O4
Molecular Weight 951.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INE-963 ADIPATE

SMILES

OC(=O)CCCCC(O)=O.COC1=C(C=CC(=N1)C(C)C)C2=CN=C3SC(=NN23)N4CCC(O)(CN)CC4.COC5=C(C=CC(=N5)C(C)C)C6=CN=C7SC(=NN67)N8CCC(O)(CN)CC8

InChI

InChIKey=GENHJKZJVORAFU-UHFFFAOYSA-N
InChI=1S/2C19H26N6O2S.C6H10O4/c2*1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24;7-5(8)3-1-2-4-6(9)10/h2*4-5,10,12,26H,6-9,11,20H2,1-3H3;1-4H2,(H,7,8)(H,9,10)

HIDE SMILES / InChI

Approval Year

Name Type Language
INE-963 ADIPATE
Common Name English
INE963 ADIPATE
Preferred Name English
Hexanedioic acid, compd. with 4-(aminomethyl)-1-[5-[2-methoxy-6-(1-methylethyl)-3-pyridinyl]imidazo[2,1-b]-1,3,4-thiadiazol-2-yl]-4-piperidinol (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
171390139
Created by admin on Wed Apr 02 19:15:58 GMT 2025 , Edited by admin on Wed Apr 02 19:15:58 GMT 2025
PRIMARY
FDA UNII
XY3Y3H7HRV
Created by admin on Wed Apr 02 19:15:58 GMT 2025 , Edited by admin on Wed Apr 02 19:15:58 GMT 2025
PRIMARY
CAS
2640567-44-6
Created by admin on Wed Apr 02 19:15:58 GMT 2025 , Edited by admin on Wed Apr 02 19:15:58 GMT 2025
PRIMARY