Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C7H17NO5.C6H5NO2 |
Molecular Weight | 318.323 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CN=CC=C1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChIKey=JTSMZNJRRZKHNI-LJTMIZJLSA-N
InChI=1S/C7H17NO5.C6H5NO2/c1-8-2-4(10)6(12)7(13)5(11)3-9;8-6(9)5-2-1-3-7-4-5/h4-13H,2-3H2,1H3;1-4H,(H,8,9)/t4-,5+,6+,7+;/m0./s1
Molecular Formula | C6H5NO2 |
Molecular Weight | 123.1094 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:15:58 UTC 2023
by
admin
on
Sat Dec 16 05:15:58 UTC 2023
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Record UNII |
Q63V3NXS4D
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Record Status |
Validated (UNII)
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Record Version |
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-
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71652153
Created by
admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
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PRIMARY | |||
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Q63V3NXS4D
Created by
admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
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PRIMARY | |||
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17162-31-1
Created by
admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 UTC 2023
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DTXSID20169143
Created by
admin on Sat Dec 16 05:15:58 UTC 2023 , Edited by admin on Sat Dec 16 05:15:58 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 |