Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H28N2O5.ClH |
| Molecular Weight | 436.929 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@]12C[C@@H](O)[C@H](OC)[C@@H](C(O)=O)[C@@]1([H])C[C@@]3([H])N(CCC4=C3NC5=C4C=CC(OC)=C5)C2
InChI
InChIKey=QLKKMNXYROCXRE-BCRILHLVSA-N
InChI=1S/C22H28N2O5.ClH/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12;/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27);1H/t11-,15+,17-,18-,19+,21+;/m1./s1
| Molecular Formula | C22H28N2O5 |
| Molecular Weight | 400.4681 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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
Sat Dec 16 10:06:55 UTC 2023
by
admin
on
Sat Dec 16 10:06:55 UTC 2023
|
| Record UNII |
YK1DUA2LXK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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17751039
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DTXSID80637974
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YK1DUA2LXK
Created by
admin on Sat Dec 16 10:06:55 UTC 2023 , Edited by admin on Sat Dec 16 10:06:55 UTC 2023
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118178
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1910-70-9
Created by
admin on Sat Dec 16 10:06:55 UTC 2023 , Edited by admin on Sat Dec 16 10:06:55 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SOLVATE->ANHYDROUS |