Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H14I6N2O6.2C7H17NO5 |
Molecular Weight | 1530.1889 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C1=C(I)C=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C1I
InChI
InChIKey=DGIAUNUPXILTJW-VRWDCWMNSA-N
InChI=1S/C20H14I6N2O6.2C7H17NO5/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/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 | C20H14I6N2O6 |
Molecular Weight | 1139.7618 |
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 15:02:13 UTC 2023
by
admin
on
Fri Dec 15 15:02:13 UTC 2023
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Record UNII |
X064O0Y1A4
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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 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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Code System | Code | Type | Description | ||
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29456
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31704
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C006753
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636408
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100000181334
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222-534-5
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C47566
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DTXSID90951411
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3521-84-4
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SUB00307MIG
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DBSALT001312
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X064O0Y1A4
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admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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m6335
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31176
Created by
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CHEMBL1165268
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 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 |