Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H26N4O2.CH4O3S |
| Molecular Weight | 462.562 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CC1=C(C)N2C=C(C=C(NCC3=C(C)C=CC=C3C)C2=N1)C(=O)NCCO
InChI
InChIKey=QCHUWMQLRFKFDK-UHFFFAOYSA-N
InChI=1S/C21H26N4O2.CH4O3S/c1-13-6-5-7-14(2)18(13)11-23-19-10-17(21(27)22-8-9-26)12-25-16(4)15(3)24-20(19)25;1-5(2,3)4/h5-7,10,12,23,26H,8-9,11H2,1-4H3,(H,22,27);1H3,(H,2,3,4)
| 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 |
| Molecular Formula | C21H26N4O2 |
| Molecular Weight | 366.4567 |
| 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
Fri Dec 15 15:34:28 UTC 2023
by
admin
on
Fri Dec 15 15:34:28 UTC 2023
|
| Record UNII |
5P098C89CG
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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5P098C89CG
Created by
admin on Fri Dec 15 15:34:28 UTC 2023 , Edited by admin on Fri Dec 15 15:34:28 UTC 2023
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11248232
Created by
admin on Fri Dec 15 15:34:28 UTC 2023 , Edited by admin on Fri Dec 15 15:34:28 UTC 2023
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300000027093
Created by
admin on Fri Dec 15 15:34:28 UTC 2023 , Edited by admin on Fri Dec 15 15:34:28 UTC 2023
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855998-67-3
Created by
admin on Fri Dec 15 15:34:28 UTC 2023 , Edited by admin on Fri Dec 15 15:34:28 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |