Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H20NO4.I |
| Molecular Weight | 477.2923 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[I-].COC1=C(OC)C2=C(C=C1)C(C)=C3C4=CC5=C(OCO5)C=C4CC[N+]3=C2
InChI
InChIKey=LLZZEUOGUZFLBN-UHFFFAOYSA-M
InChI=1S/C21H20NO4.HI/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22;/h4-5,8-10H,6-7,11H2,1-3H3;1H/q+1;/p-1
| Molecular Formula | C21H20NO4 |
| Molecular Weight | 350.3878 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | I |
| Molecular Weight | 126.90447 |
| Charge | -1 |
| 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
Tue Apr 01 19:59:13 GMT 2025
by
admin
on
Tue Apr 01 19:59:13 GMT 2025
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| Record UNII |
B5U3GL6J8B
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| Record Status |
Validated (UNII)
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| Record Version |
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331266
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B5U3GL6J8B
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DTXSID40944853
Created by
admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
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3083755
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admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
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2220-12-4
Created by
admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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