Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C12H13N.C4H6O6 |
Molecular Weight | 492.5635 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C#CCN[C@@H]1CCC2=CC=CC=C12.C#CCN[C@@H]3CCC4=CC=CC=C34
InChI
InChIKey=YGKHOZXCTLKSLJ-KHAGDFGNSA-N
InChI=1S/2C12H13N.C4H6O6/c2*1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;5-1(3(7)8)2(6)4(9)10/h2*1,3-6,12-13H,7-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m111/s1
Molecular Formula | C12H13N |
Molecular Weight | 171.2383 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + ) |
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:18:06 UTC 2023
by
admin
on
Fri Dec 15 18:18:06 UTC 2023
|
Record UNII |
B9A329CN07
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C667
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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Code System | Code | Type | Description | ||
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136236-52-7
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY | |||
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950981-99-4
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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B9A329CN07
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY | |||
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C97711
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY | |||
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71550735
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY | |||
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SUB182629
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY | |||
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100000160618
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY | |||
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SUB172785
Created by
admin on Fri Dec 15 18:18:06 UTC 2023 , Edited by admin on Fri Dec 15 18:18:06 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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