Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H11I3N2O4.C7H17NO5 |
Molecular Weight | 823.1537 |
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)NCC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
InChI
InChIKey=UYIPQECISAQMIU-WZTVWXICSA-N
InChI=1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);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 | C12H11I3N2O4 |
Molecular Weight | 627.9402 |
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 16:28:49 UTC 2023
by
admin
on
Fri Dec 15 16:28:49 UTC 2023
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Record UNII |
6X283535A3
|
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 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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Code System | Code | Type | Description | ||
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SUB02724MIG
Created by
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CHEMBL1201239
Created by
admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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m6325
Created by
admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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PRIMARY | Merck Index | ||
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29182
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31704
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100000086427
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C65929
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admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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18656-21-8
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C014081
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DBSALT001393
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6X283535A3
Created by
admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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DTXSID90171915
Created by
admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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29455
Created by
admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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242-480-6
Created by
admin on Fri Dec 15 16:28:49 UTC 2023 , Edited by admin on Fri Dec 15 16:28:49 UTC 2023
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PRIMARY |
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 |