Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H27N2O3.Cl |
| Molecular Weight | 402.914 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].COC(=O)[C@@]1(CO)[C@H]2C[C@H]3C4=C(C[C@@H]1[N@@+]3(C)C\C2=C\C)C5=C(N4)C=CC=C5
InChI
InChIKey=XZCJRBLVMDQZHO-CEXPNPHSSA-M
InChI=1S/C22H27N2O3.ClH/c1-4-13-11-24(2)18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23-20(15)18;/h4-8,16,18-19,23,25H,9-12H2,1-3H3;1H/q+1;/p-1/b13-4-;/t16-,18-,19-,22-,24-;/m0./s1
| 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 |
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.4534 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:24:25 GMT 2025
by
admin
on
Mon Mar 31 18:24:25 GMT 2025
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| Record UNII |
58992VKD0P
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| Record Status |
Validated (UNII)
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| Record Version |
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91618003
Created by
admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
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PRIMARY | |||
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58992VKD0P
Created by
admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
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2697-31-6
Created by
admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
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PRIMARY |