Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H27N6O7 |
| Molecular Weight | 559.55 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CC1=CC(\C=C\C#N)=CC(C)=C1NC2=CC=[N+](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(NC4=CC=C(C=C4)C#N)=N2
InChI
InChIKey=XMHLXDOUGDROTJ-ZJLTYCLESA-O
InChI=1S/C28H26N6O7/c1-15-12-18(4-3-10-29)13-16(2)21(15)32-20-9-11-34(28(33-20)31-19-7-5-17(14-30)6-8-19)41-27-24(37)22(35)23(36)25(40-27)26(38)39/h3-9,11-13,22-25,27,35-37H,1-2H3,(H2,31,32,33,38,39)/p+1/b4-3+/t22-,23-,24+,25-,27-/m0/s1
| Molecular Formula | C28H27N6O7 |
| Molecular Weight | 559.55 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 01:50:58 GMT 2025
by
admin
on
Wed Apr 02 01:50:58 GMT 2025
|
| Record UNII |
B3FBF4C3FH
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Systematic Name | English | ||
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Preferred Name | English |
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B3FBF4C3FH
Created by
admin on Wed Apr 02 01:50:58 GMT 2025 , Edited by admin on Wed Apr 02 01:50:58 GMT 2025
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156596703
Created by
admin on Wed Apr 02 01:50:58 GMT 2025 , Edited by admin on Wed Apr 02 01:50:58 GMT 2025
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PRIMARY |
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PARENT -> METABOLITE |
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