Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H30N4O3.ClH.2H2O |
| Molecular Weight | 470.99 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.Cl.C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)N3C=C(C=N3)C(=O)N4CCOCC4
InChI
InChIKey=KAHPJCXENVTTHA-YTNSDAIYSA-N
InChI=1S/C22H30N4O3.ClH.2H2O/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25;;;/h5-8,16-18H,2-4,9-15H2,1H3;1H;2*1H2/t18-;;;/m1.../s1
| Molecular Formula | C22H30N4O3 |
| Molecular Weight | 398.4986 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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
Mon Mar 31 22:48:55 GMT 2025
by
admin
on
Mon Mar 31 22:48:55 GMT 2025
|
| Record UNII |
0W4IKH51WL
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Common Name | English |
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1152749-09-1
Created by
admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
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PRIMARY | |||
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0W4IKH51WL
Created by
admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
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PRIMARY | |||
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66933454
Created by
admin on Mon Mar 31 22:48:55 GMT 2025 , Edited by admin on Mon Mar 31 22:48:55 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |