Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H28N2O4.C6H8O7 |
| Molecular Weight | 636.6457 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+]([O-])=O)C3=CC=C(OCCN4CCCC4)C=C3
InChI
InChIKey=LHAPNDAERSFWSC-JGUILPGDSA-N
InChI=1S/C27H28N2O4.C6H8O7/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,7-16H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b27-26+;
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C481
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
22149
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
PRIMARY | |||
|
5863-35-4
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
PRIMARY | |||
|
CHEMBL2105203
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
PRIMARY | |||
|
TN5UQ266RA
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
PRIMARY | |||
|
C90721
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
PRIMARY | |||
|
110407
Created by
admin on Fri Dec 15 15:18:13 UTC 2023 , Edited by admin on Fri Dec 15 15:18:13 UTC 2023
|
PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD