Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C7H17NO5.C7H6O3 |
| Molecular Weight | 333.3343 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=C(O)C=CC=C1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChIKey=UBUJQGDIGRPIEZ-LJTMIZJLSA-N
InChI=1S/C7H17NO5.C7H6O3/c1-8-2-4(10)6(12)7(13)5(11)3-9;8-6-4-2-1-3-5(6)7(9)10/h4-13H,2-3H2,1H3;1-4,8H,(H,9,10)/t4-,5+,6+,7+;/m0./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 | C7H6O3 |
| Molecular Weight | 138.1207 |
| 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 15:25:33 UTC 2023
by
admin
on
Fri Dec 15 15:25:33 UTC 2023
|
| Record UNII |
Z1EQ13H492
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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Official Name | English | ||
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Code | English | ||
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C257
Created by
admin on Fri Dec 15 15:25:33 UTC 2023 , Edited by admin on Fri Dec 15 15:25:33 UTC 2023
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| Code System | Code | Type | Description | ||
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SUB33256
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20055507
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CHEMBL2107478
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DTXSID00945962
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C152287
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23277-50-1
Created by
admin on Fri Dec 15 15:25:33 UTC 2023 , Edited by admin on Fri Dec 15 15:25:33 UTC 2023
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100000125946
Created by
admin on Fri Dec 15 15:25:33 UTC 2023 , Edited by admin on Fri Dec 15 15:25:33 UTC 2023
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C014648
Created by
admin on Fri Dec 15 15:25:33 UTC 2023 , Edited by admin on Fri Dec 15 15:25:33 UTC 2023
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Z1EQ13H492
Created by
admin on Fri Dec 15 15:25:33 UTC 2023 , Edited by admin on Fri Dec 15 15:25:33 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 |