Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C11H9I3N2O4.C7H17NO5 |
Molecular Weight | 809.1272 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
InChI
InChIKey=MIKKOBKEXMRYFQ-WZTVWXICSA-N
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
Molecular Formula | C7H17NO5 |
Molecular Weight | 195.2136 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C11H9I3N2O4 |
Molecular Weight | 613.9136 |
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
Fri Dec 15 15:16:14 UTC 2023
by
admin
on
Fri Dec 15 15:16:14 UTC 2023
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Record UNII |
3X9MR4N98U
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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 Fri Dec 15 15:16:15 UTC 2023 , Edited by admin on Fri Dec 15 15:16:15 UTC 2023
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CFR |
21 CFR 522.563
Created by
admin on Fri Dec 15 15:16:15 UTC 2023 , Edited by admin on Fri Dec 15 15:16:15 UTC 2023
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Code System | Code | Type | Description | ||
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100000091437
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131-49-7
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31812
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CHEMBL1201220
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DTXSID20897171
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m4263
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205-024-7
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53692
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4208
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3X9MR4N98U
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SUB03119MIG
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3X9MR4N98U
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DBSALT000844
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8566
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C29247
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D003974
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3320
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PRIMARY | RxNorm |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |