Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C27H26F2N8O3.3C4H4O4 |
| Molecular Weight | 1445.3044 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.COC1=CC=C2N=CN=C(NC3=CC=C(OC4=CC5=NC=NN5C=N4)C(C)=C3)C2=C1O[C@@H]6CCN(C)CC6(F)F.COC7=CC=C8N=CN=C(NC9=CC=C(OC%10=CC%11=NC=NN%11C=N%10)C(C)=C9)C8=C7O[C@@H]%12CCN(C)CC%12(F)F
InChI
InChIKey=YZJLPKRCJNMAQK-RRFZXVBHSA-N
InChI=1S/2C27H26F2N8O3.3C4H4O4/c2*1-16-10-17(4-6-19(16)39-23-11-22-31-14-34-37(22)15-33-23)35-26-24-18(30-13-32-26)5-7-20(38-3)25(24)40-21-8-9-36(2)12-27(21,28)29;3*5-3(6)1-2-4(7)8/h2*4-7,10-11,13-15,21H,8-9,12H2,1-3H3,(H,30,32,35);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*21-;;;/m11.../s1
| 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 | C27H26F2N8O3 |
| Molecular Weight | 548.5439 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 05:52:33 GMT 2025
by
admin
on
Wed Apr 02 05:52:33 GMT 2025
|
| Record UNII |
16MFP11P9X
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
3019961-01-1
Created by
admin on Wed Apr 02 05:52:33 GMT 2025 , Edited by admin on Wed Apr 02 05:52:33 GMT 2025
|
PRIMARY | |||
|
16MFP11P9X
Created by
admin on Wed Apr 02 05:52:33 GMT 2025 , Edited by admin on Wed Apr 02 05:52:33 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
