Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C8H19NO5.C7H3IN2O3 |
| Molecular Weight | 499.255 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(I)C=C(C=C1[N+]([O-])=O)C#N.CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChIKey=NIVIZBHSVXAGNW-ANJNCBFHSA-N
InChI=1S/C8H19NO5.C7H3IN2O3/c1-2-9-3-5(11)7(13)8(14)6(12)4-10;8-5-1-4(3-9)2-6(7(5)11)10(12)13/h5-14H,2-4H2,1H3;1-2,11H/t5-,6+,7+,8+;/m0./s1
| Molecular Formula | C8H19NO5 |
| Molecular Weight | 209.2402 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H3IN2O3 |
| Molecular Weight | 290.0148 |
| 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
Mon Mar 31 19:52:49 GMT 2025
by
admin
on
Mon Mar 31 19:52:49 GMT 2025
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| Record UNII |
TF9AXW67XU
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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DTXSID70950588
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TF9AXW67XU
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248-726-9
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300000023740
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27917-82-4
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161586
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m8013
Created by
admin on Mon Mar 31 19:52:49 GMT 2025 , Edited by admin on Mon Mar 31 19:52:49 GMT 2025
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |