Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H23N7O2.C4H4O4.H2O |
| Molecular Weight | 599.594 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)\C=C/C(O)=O.CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5
InChI
InChIKey=VBDKXTXWSCEGJA-ISUPNROZSA-N
InChI=1S/C26H23N7O2.C4H4O4.H2O/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20;5-3(6)1-2-4(7)8;/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35);1-2H,(H,5,6)(H,7,8);1H2/b;2-1-;/t19-;;/m0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C26H23N7O2 |
| Molecular Weight | 465.5065 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:21:09 UTC 2023
by
admin
on
Sat Dec 16 19:21:09 UTC 2023
|
| Record UNII |
9GP2BPG9NS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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2641500-53-8
Created by
admin on Sat Dec 16 19:21:09 UTC 2023 , Edited by admin on Sat Dec 16 19:21:09 UTC 2023
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PRIMARY | |||
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C189925
Created by
admin on Sat Dec 16 19:21:09 UTC 2023 , Edited by admin on Sat Dec 16 19:21:09 UTC 2023
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9GP2BPG9NS
Created by
admin on Sat Dec 16 19:21:09 UTC 2023 , Edited by admin on Sat Dec 16 19:21:09 UTC 2023
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PRIMARY | |||
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164888921
Created by
admin on Sat Dec 16 19:21:09 UTC 2023 , Edited by admin on Sat Dec 16 19:21:09 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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