Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H28NO3.C7H7O3S.H2O |
Molecular Weight | 507.639 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1=CC=C(C=C1)S([O-])(=O)=O.C[N+]2(C)CC[C@@H](C2)OC(=O)[C@@](O)(C3CCCC3)C4=CC=CC=C4
InChI
InChIKey=UOWOLENSDISMPG-FFUVTKDNSA-M
InChI=1S/C19H28NO3.C7H8O3S.H2O/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;2-5H,1H3,(H,8,9,10);1H2/q+1;;/p-1/t17-,19-;;/m0../s1
Molecular Formula | C19H28NO3 |
Molecular Weight | 318.4305 |
Charge | 1 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C7H8O3S |
Molecular Weight | 172.202 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
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
Sat Dec 16 11:25:44 UTC 2023
by
admin
on
Sat Dec 16 11:25:44 UTC 2023
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Record UNII |
1PVF6JLU7B
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Record Status |
Validated (UNII)
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Record Version |
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SUB194460
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CD-93
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1624259-25-1
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1449568-31-3
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C166511
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2052857
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CHEMBL1201335
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300000020251
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE | |||
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ENANTIOMER -> RACEMATE |
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ENANTIOMER -> RACEMATE |
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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