Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
83C9062IVH
Record Status Validated
Record Version
Show Definitional References Hide Definitional References
Download

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N4O.C4H6O6
Molecular Weight 470.4751
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 05:54:24 EDT 2021
Edited by admin on Wed Aug 04 05:54:24 EDT 2021
Structure of ABT-107 TARTRATE

Systematic Names:

  • None recorded

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

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
Name Type Language Details Access References
ABT-107 TARTRATE
Code
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  
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  
(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  
Code System Code Type Description Access References
ChEMBL
CHEMBL2151570
Created by admin on Wed Aug 04 05:54:24 EDT 2021 , Edited by admin on Wed Aug 04 05:54:24 EDT 2021
PRIMARY
FDA UNII
83C9062IVH
Created by admin on Wed Aug 04 05:54:24 EDT 2021 , Edited by admin on Wed Aug 04 05:54:24 EDT 2021
PRIMARY
PUBCHEM
68540578
Created by admin on Wed Aug 04 05:54:24 EDT 2021 , Edited by admin on Wed Aug 04 05:54:24 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 05:54:24 EDT 2021 , Edited by admin on Wed Aug 04 05:54:24 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 05:54:24 EDT 2021 , Edited by admin on Wed Aug 04 05:54:24 EDT 2021
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: C1CN2CCC1[C@H](C2)OC3=NN=C(C=C3)C4=CC5=C(NC=C5)C=C4
Created Wed Aug 04 05:54:24 EDT 2021
Created By admin
Last Edited Wed Aug 04 05:54:24 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 STN STN (SCIFINDER) PUBLIC_DOMAIN_RELEASE NOMEN
2 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 05:54:24 EDT 2021
3 SRS SRS NOMEN
4 FDA_SRS STN (SCIFINDER) PUBLIC_DOMAIN_RELEASE NOMEN
5 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:45:33 EDT 2017
6 SRS import [83C9062IVH] SRS NOMEN Fri Apr 28 14:45:33 EDT 2017
7 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 05:54:24 EDT 2021
8 PUBCHEM PUBCHEM

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

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