Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H11I3N2O5.C7H17NO5 |
Molecular Weight | 839.1531 |
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)NCCO)=C(I)C(C(O)=O)=C1I
InChI
InChIKey=IFTFXKNYTWAOGK-WZTVWXICSA-N
InChI=1S/C12H11I3N2O5.C7H17NO5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);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 | C12H11I3N2O5 |
Molecular Weight | 643.9396 |
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 15:17:56 UTC 2023
by
admin
on
Fri Dec 15 15:17:56 UTC 2023
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Record UNII |
5791GC9HSW
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Record Status |
Validated (UNII)
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Record Version |
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-
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5791GC9HSW
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29288-99-1
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SUB14258MIG
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249-544-2
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DBSALT002569
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23620195
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C001694
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29459
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DTXSID90951870
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100000085390
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |