Details
Stereochemistry | RACEMIC |
Molecular Formula | C22H24N2O.C4H4O4 |
Molecular Weight | 448.5109 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC3C4=C(C=CC=C4)C=CC5=C3C=CC=N5
InChI
InChIKey=XRNCBYGSTJBHHL-GTYVWWLYSA-N
InChI=1S/C22H24N2O.C4H4O4/c1-24-16-9-10-17(24)14-18(13-16)25-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21;5-3(6)1-2-4(7)8/h2-8,11-12,16-18,22H,9-10,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,17+,18+,22?;
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 | C22H24N2O |
Molecular Weight | 332.4388 |
Charge | 0 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:37:32 GMT 2023
by
admin
on
Sat Dec 16 12:37:32 GMT 2023
|
Record UNII |
Z2T09C8X9T
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
Z2T09C8X9T
Created by
admin on Sat Dec 16 12:37:32 GMT 2023 , Edited by admin on Sat Dec 16 12:37:32 GMT 2023
|
PRIMARY | |||
|
6444789
Created by
admin on Sat Dec 16 12:37:32 GMT 2023 , Edited by admin on Sat Dec 16 12:37:32 GMT 2023
|
PRIMARY | |||
|
17929-04-3
Created by
admin on Sat Dec 16 12:37:32 GMT 2023 , Edited by admin on Sat Dec 16 12:37:32 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |