Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H16ClN5O.ClH.2H2O |
| Molecular Weight | 402.276 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.Cl.CC1(C)CN2C(=N1)N(CC3=CC=C(Cl)C=C3)C4=C(N=CN4)C2=O
InChI
InChIKey=OALQZFSTASPEAW-UHFFFAOYSA-N
InChI=1S/C16H16ClN5O.ClH.2H2O/c1-16(2)8-22-14(23)12-13(19-9-18-12)21(15(22)20-16)7-10-3-5-11(17)6-4-10;;;/h3-6,9H,7-8H2,1-2H3,(H,18,19);1H;2*1H2
| 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 | C16H16ClN5O |
| Molecular Weight | 329.784 |
| 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
Mon Mar 31 21:25:58 GMT 2025
by
admin
on
Mon Mar 31 21:25:58 GMT 2025
|
| Record UNII |
WK20413R1I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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WK20413R1I
Created by
admin on Mon Mar 31 21:25:58 GMT 2025 , Edited by admin on Mon Mar 31 21:25:58 GMT 2025
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71587295
Created by
admin on Mon Mar 31 21:25:58 GMT 2025 , Edited by admin on Mon Mar 31 21:25:58 GMT 2025
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DTXSID70230054
Created by
admin on Mon Mar 31 21:25:58 GMT 2025 , Edited by admin on Mon Mar 31 21:25:58 GMT 2025
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80055-18-1
Created by
admin on Mon Mar 31 21:25:58 GMT 2025 , Edited by admin on Mon Mar 31 21:25:58 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |