Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C20H20N2O.C4H4O4 |
| Molecular Weight | 420.4578 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC1CCCC2=NC3=C(C=CC=C3)C(NCC4=CC=CC=C4)=C12
InChI
InChIKey=JRQSVNSUJOFXHC-BTJKTKAUSA-N
InChI=1S/C20H20N2O.C4H4O4/c23-18-12-6-11-17-19(18)20(15-9-4-5-10-16(15)22-17)21-13-14-7-2-1-3-8-14;5-3(6)1-2-4(7)8/h1-5,7-10,18,23H,6,11-13H2,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C20H20N2O |
| Molecular Weight | 304.3856 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:44:10 UTC 2023
by
admin
on
Fri Dec 15 17:44:10 UTC 2023
|
| Record UNII |
NO3H145KZO
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C47792
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
CHEMBL301958
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY | |||
|
NO3H145KZO
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY | |||
|
AA-65
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY | |||
|
C96776
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY | |||
|
C070061
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY | |||
|
9953907
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY | |||
|
113108-86-4
Created by
admin on Fri Dec 15 17:44:10 UTC 2023 , Edited by admin on Fri Dec 15 17:44:10 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |