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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N4O.C4H6O6
Molecular Weight 470.4751
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-107 TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.C1CN2CCC1[C@H](C2)OC3=CC=C(N=N3)C4=CC=C5NC=CC5=C4

InChI

InChIKey=YESVBFSPCCSJKX-UWPISNKWSA-N
InChI=1S/C19H20N4O.C4H6O6/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23;5-1(3(7)8)2(6)4(9)10/h1-5,8,11,13,18,20H,6-7,9-10,12H2;1-2,5-6H,(H,7,8)(H,9,10)/t18-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C19H20N4O
Molecular Weight 320.3883
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Wed Jul 05 23:56:16 UTC 2023
Edited
by admin
on Wed Jul 05 23:56:16 UTC 2023
Record UNII
83C9062IVH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABT-107 TARTRATE
Code English
(3R)-3-((6-(1H-INDOL-5-YL)PYRIDAZIN-3-YL)OXY)-1-AZONIABICYCLO(2.2.2)OCTANE (2R,3R)-3-CARBOXY-2,3-DIHYDROXYPROPANOATE
Systematic Name English
1-AZABICYCLO(2.2.2)OCTANE, 3-((6-(1H-INDOL-5-YL)-3-PYRIDAZINYL)OXY)-, (3R)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
BUTANEDIOIC ACID, 2,3-DIHYDROXY-, (2R,3R)-, COMPD. WITH (3R)-3-((6-(1H-INDOL-5-YL)-3-PYRIDAZINYL)OXY)-1-AZABICYCLO(2.2.2)OCTANE (1:1)
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL2151570
Created by admin on Wed Jul 05 23:56:16 UTC 2023 , Edited by admin on Wed Jul 05 23:56:16 UTC 2023
PRIMARY
PUBCHEM
68540578
Created by admin on Wed Jul 05 23:56:16 UTC 2023 , Edited by admin on Wed Jul 05 23:56:16 UTC 2023
PRIMARY
FDA UNII
83C9062IVH
Created by admin on Wed Jul 05 23:56:16 UTC 2023 , Edited by admin on Wed Jul 05 23:56:16 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY