Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H29NO2.C4H6O6 |
Molecular Weight | 477.5473 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.OC1=CC2=C(C[C@H]3N(CC4CCC4)CC[C@@]25CCCC[C@@]35O)C=C1
InChI
InChIKey=GMTYREVWZXJPLF-AFHUBHILSA-N
InChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1
Molecular Formula | C21H29NO2 |
Molecular Weight | 327.4605 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 15:23:31 UTC 2023
by
admin
on
Fri Dec 15 15:23:31 UTC 2023
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Record UNII |
2L7I72RUHN
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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 |
C1506
Created by
admin on Fri Dec 15 15:23:31 UTC 2023 , Edited by admin on Fri Dec 15 15:23:31 UTC 2023
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DEA NO. |
9720
Created by
admin on Fri Dec 15 15:23:31 UTC 2023 , Edited by admin on Fri Dec 15 15:23:31 UTC 2023
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NCI_THESAURUS |
C241
Created by
admin on Fri Dec 15 15:23:31 UTC 2023 , Edited by admin on Fri Dec 15 15:23:31 UTC 2023
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SUB00920MIG
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2L7I72RUHN
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CHEMBL33986
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C61658
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203170
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2L7I72RUHN
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DTXSID50904569
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261-443-5
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58786-99-5
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100000084861
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1082504
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m2802
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DBSALT000276
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5464090
Created by
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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