Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C30H34N8O3.CH4O3S.H2O |
| Molecular Weight | 668.764 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CS(O)(=O)=O.COC1=C(NC2=NC=CC(=N2)N3C=C(CN(C)C)C(=N3)C4=CC=CC=C4)C=C(NC(=O)C=C)C(=C1)N5CCOCC5
InChI
InChIKey=ZJPNGZUERUYZEG-UHFFFAOYSA-N
InChI=1S/C30H34N8O3.CH4O3S.H2O/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21;1-5(2,3)4;/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34);1H3,(H,2,3,4);1H2
| Molecular Formula | C30H34N8O3 |
| Molecular Weight | 554.6428 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:22:39 UTC 2023
by
admin
on
Sat Dec 16 18:22:39 UTC 2023
|
| Record UNII |
WUT449BEG5
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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2411549-88-5
Created by
admin on Sat Dec 16 18:22:40 UTC 2023 , Edited by admin on Sat Dec 16 18:22:40 UTC 2023
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WUT449BEG5
Created by
admin on Sat Dec 16 18:22:40 UTC 2023 , Edited by admin on Sat Dec 16 18:22:40 UTC 2023
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D12245
Created by
admin on Sat Dec 16 18:22:40 UTC 2023 , Edited by admin on Sat Dec 16 18:22:40 UTC 2023
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163203547
Created by
admin on Sat Dec 16 18:22:40 UTC 2023 , Edited by admin on Sat Dec 16 18:22:40 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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