Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H11NO2.C4H6O6 |
| Molecular Weight | 315.276 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.N[C@H](CC1=CC=CC=C1)C(O)=O
InChI
InChIKey=JYTBFPUFHVJGTK-HORCDNLXSA-N
InChI=1S/C9H11NO2.C4H6O6/c10-8(9(11)12)6-7-4-2-1-3-5-7;5-1(3(7)8)2(6)4(9)10/h1-5,8H,6,10H2,(H,11,12);1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m10/s1
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| 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
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4421 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19237584 |
9.0 µM [EC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:34:23 GMT 2025
by
admin
on
Wed Apr 02 19:34:23 GMT 2025
|
| Record UNII |
Y7T6M8VUH4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
762293-71-0
Created by
admin on Wed Apr 02 19:34:23 GMT 2025 , Edited by admin on Wed Apr 02 19:34:23 GMT 2025
|
PRIMARY | |||
|
Y7T6M8VUH4
Created by
admin on Wed Apr 02 19:34:23 GMT 2025 , Edited by admin on Wed Apr 02 19:34:23 GMT 2025
|
PRIMARY |