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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C12H18N2O.C6H10O8
Molecular Weight 622.707
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of TC-2696 HEMIGALACTARATE

SMILES

O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O.CN[C@@H](C)C\C=C\C1=CN=CC(OC)=C1.CN[C@@H](C)C\C=C\C2=CN=CC(OC)=C2

InChI

InChIKey=FLQBNKVEDURVOS-MGBSAVTRSA-N
InChI=1S/2C12H18N2O.C6H10O8/c2*1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*4,6-10,13H,5H2,1-3H3;1-4,7-10H,(H,11,12)(H,13,14)/b2*6-4+;/t2*10-;1-,2+,3+,4-/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TC-2696 HEMIGALACTARATE
Code English
(2S)-(4E)-N-METHYL-5-(5-METHOXY-3-PYRIDYL)-4-PENTEN-2-AMINE HEMI-GALACTARATE
Preferred Name English
GALACTARIC ACID, COMPD. WITH (2S,4E)-5-(5-METHOXY-3-PYRIDINYL)-N-METHYL-4-PENTEN-2-AMINE (1:2)
Systematic Name English
Code System Code Type Description
CAS
1112974-99-8
Created by admin on Mon Mar 31 18:20:45 GMT 2025 , Edited by admin on Mon Mar 31 18:20:45 GMT 2025
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
131801091
Created by admin on Mon Mar 31 18:20:45 GMT 2025 , Edited by admin on Mon Mar 31 18:20:45 GMT 2025
PRIMARY
FDA UNII
W34896B36A
Created by admin on Mon Mar 31 18:20:45 GMT 2025 , Edited by admin on Mon Mar 31 18:20:45 GMT 2025
PRIMARY
CAS
1112975-47-9
Created by admin on Mon Mar 31 18:20:45 GMT 2025 , Edited by admin on Mon Mar 31 18:20:45 GMT 2025
PRIMARY