Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H29N5O6.ClH.H2O |
Molecular Weight | 489.95 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.COC1=CC2=C(N=C(N=C2N)N3CCN(CC3)C(=O)OCC(C)(C)O)C(OC)=C1OC
InChI
InChIKey=WXMXALSEIGHTOR-UHFFFAOYSA-N
InChI=1S/C20H29N5O6.ClH.H2O/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5;;/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23);1H;1H2
Molecular Formula | C20H29N5O6 |
Molecular Weight | 435.4742 |
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 | ClH |
Molecular Weight | 36.461 |
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 15:14:14 UTC 2023
by
admin
on
Fri Dec 15 15:14:14 UTC 2023
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Record UNII |
827T79ILE7
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29713
Created by
admin on Fri Dec 15 15:14:14 UTC 2023 , Edited by admin on Fri Dec 15 15:14:14 UTC 2023
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Code System | Code | Type | Description | ||
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DTXSID40202021
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64749
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DBSALT001792
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CHEMBL513301
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m978
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admin on Fri Dec 15 15:14:14 UTC 2023 , Edited by admin on Fri Dec 15 15:14:14 UTC 2023
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PRIMARY | Merck Index | ||
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C75060
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C005185
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827T79ILE7
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53746-46-6
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SUB04965MIG
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100000084664
Created by
admin on Fri Dec 15 15:14:14 UTC 2023 , Edited by admin on Fri Dec 15 15:14:14 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |