Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H22N2O2.ClHO4.H2O |
| Molecular Weight | 440.875 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OCl(=O)(=O)=O.COC(=O)C1=C2NC3=C(C=CC=C3)[C@@]24CC[N@]5C\C(=C\C)[C@@H]1C[C@@H]45
InChI
InChIKey=GQYCPVMIZPCILJ-WJXPOYECSA-N
InChI=1S/C20H22N2O2.ClHO4.H2O/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22;2-1(3,4)5;/h3-7,13,16,21H,8-11H2,1-2H3;(H,2,3,4,5);1H2/b12-3-;;/t13-,16-,20+;;/m0../s1
| Molecular Formula | ClHO4 |
| Molecular Weight | 100.459 |
| 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 | C20H22N2O2 |
| Molecular Weight | 322.4009 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:02:32 GMT 2025
by
admin
on
Mon Mar 31 22:02:32 GMT 2025
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| Record UNII |
F5C343RD1B
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
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72710661
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m1462
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admin on Mon Mar 31 22:02:32 GMT 2025 , Edited by admin on Mon Mar 31 22:02:32 GMT 2025
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25378-42-1
Created by
admin on Mon Mar 31 22:02:32 GMT 2025 , Edited by admin on Mon Mar 31 22:02:32 GMT 2025
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