Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C18H23NO3.C4H6O6 |
| Molecular Weight | 451.467 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.CC(CCC1=CC=C(O)C=C1)NCCC2=CC(O)=C(O)C=C2
InChI
InChIKey=WZIUXGZIVZDXIG-WUUYCOTASA-N
InChI=1S/C18H23NO3.C4H6O6/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;5-1(3(7)8)2(6)4(9)10/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/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 | C18H23NO3 |
| Molecular Weight | 301.3801 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:28:30 UTC 2023
by
admin
on
Fri Dec 15 15:28:30 UTC 2023
|
| Record UNII |
5D1IB9AI6J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C48149
Created by
admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023
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| Code System | Code | Type | Description | ||
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Y-65
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208850
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DBSALT002324
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5D1IB9AI6J
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DTXSID30873946
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101626-66-8
Created by
admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023
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C65452
Created by
admin on Fri Dec 15 15:28:30 UTC 2023 , Edited by admin on Fri Dec 15 15:28:30 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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