Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C13H21NO3.C4H6O6 |
Molecular Weight | 628.7083 |
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.CC(C)(C)NC[C@H](O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NC[C@H](O)C2=CC=C(O)C(CO)=C2
InChI
InChIKey=VNVNZKCCDVFGAP-FPDJQMMJSA-N
InChI=1S/2C13H21NO3.C4H6O6/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h2*4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m001/s1
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 |
Molecular Formula | C13H21NO3 |
Molecular Weight | 239.3107 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:53:40 UTC 2023
by
admin
on
Sat Dec 16 04:53:40 UTC 2023
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Record UNII |
ADS4I3E22M
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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 |
C48149
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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NCI_THESAURUS |
C319
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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Code System | Code | Type | Description | ||
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487066
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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PRIMARY | RxNorm | ||
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CHEMBL1002
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admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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QQ-74
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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C66003
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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PRIMARY | |||
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661464-94-4
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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PRIMARY | |||
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ADS4I3E22M
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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PRIMARY | |||
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10349032
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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100000087598
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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SUB23347
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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DBSALT001385
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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DTXSID10984620
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 UTC 2023
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ADS4I3E22M
Created by
admin on Sat Dec 16 04:53:41 UTC 2023 , Edited by admin on Sat Dec 16 04:53:41 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 |