Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H19NO3.H2O |
Molecular Weight | 303.3529 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@]5([H])C=C[C@@H]2O
InChI
InChIKey=IYXRQFVHZFEWSY-VYKNHSEDSA-N
InChI=1S/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H2/t10-,11+,13-,16-,17-;/m0./s1
Molecular Formula | C17H19NO3 |
Molecular Weight | 285.3377 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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 16:05:44 UTC 2023
by
admin
on
Fri Dec 15 16:05:44 UTC 2023
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Record UNII |
41TQ665R1X
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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 |
C67413
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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Code System | Code | Type | Description | ||
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6009-81-0
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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m7631
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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SUB03332MIG
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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1447002
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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41TQ665R1X
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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17303
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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DTXSID50975517
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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C87362
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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21118682
Created by
admin on Fri Dec 15 16:05:44 UTC 2023 , Edited by admin on Fri Dec 15 16:05:44 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |