Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H34O5.C4H11NO3 |
Molecular Weight | 475.616 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
InChI
InChIKey=IYGXEHDCSOYNKY-RZHHZEQLSA-N
InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
Molecular Formula | C20H34O5 |
Molecular Weight | 354.481 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H11NO3 |
Molecular Weight | 121.135 |
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 15:10:33 UTC 2023
by
admin
on
Fri Dec 15 15:10:33 UTC 2023
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Record UNII |
CT6BBQ5A68
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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 |
C78568
Created by
admin on Fri Dec 15 15:10:33 UTC 2023 , Edited by admin on Fri Dec 15 15:10:33 UTC 2023
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Code System | Code | Type | Description | ||
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C1074
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SUB75954
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CHEMBL815
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SUB01758MIG
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23321
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admin on Fri Dec 15 15:10:33 UTC 2023 , Edited by admin on Fri Dec 15 15:10:33 UTC 2023
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5282415
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DTXSID1045582
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1213001
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196515
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CT6BBQ5A68
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admin on Fri Dec 15 15:10:33 UTC 2023 , Edited by admin on Fri Dec 15 15:10:33 UTC 2023
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m9259
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admin on Fri Dec 15 15:10:33 UTC 2023 , Edited by admin on Fri Dec 15 15:10:33 UTC 2023
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DB01160
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CT6BBQ5A68
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C010714
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admin on Fri Dec 15 15:10:33 UTC 2023 , Edited by admin on Fri Dec 15 15:10:33 UTC 2023
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254-002-3
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100000085192
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38562-01-5
Created by
admin on Fri Dec 15 15:10:33 UTC 2023 , Edited by admin on Fri Dec 15 15:10:33 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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TARGET -> AGONIST |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |