Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H15I3NO3.Na |
| Molecular Weight | 660.9877 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCCC(=O)NC1=C(I)C(C=C(CC)C([O-])=O)=C(I)C=C1I
InChI
InChIKey=JNUQEHHAXSHUMD-UHFFFAOYSA-M
InChI=1S/C15H16I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
| Molecular Formula | C15H15I3NO3 |
| Molecular Weight | 637.9979 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| 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
Mon Mar 31 17:49:01 GMT 2025
by
admin
on
Mon Mar 31 17:49:01 GMT 2025
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| Record UNII |
NTI7T2IEIE
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C28500
Created by
admin on Mon Mar 31 17:49:01 GMT 2025 , Edited by admin on Mon Mar 31 17:49:01 GMT 2025
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| Code System | Code | Type | Description | ||
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C76629
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74083688
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CHEMBL2110636
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100000084853
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NTI7T2IEIE
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1923-76-8
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SUB00898MIG
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m2760
Created by
admin on Mon Mar 31 17:49:01 GMT 2025 , Edited by admin on Mon Mar 31 17:49:01 GMT 2025
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |