Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H28NO3.C7H7O3S.H2O |
Molecular Weight | 507.639 |
Optical Activity | UNSPECIFIED |
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-WGMYLSDTSA-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-;;/m1../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 11:30:21 GMT 2023
by
admin
on
Sat Dec 16 11:30:21 GMT 2023
|
Record UNII |
O811AAI38B
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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1883451-11-3
Created by
admin on Sat Dec 16 11:30:21 GMT 2023 , Edited by admin on Sat Dec 16 11:30:21 GMT 2023
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PRIMARY | |||
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121225723
Created by
admin on Sat Dec 16 11:30:21 GMT 2023 , Edited by admin on Sat Dec 16 11:30:21 GMT 2023
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PRIMARY | |||
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O811AAI38B
Created by
admin on Sat Dec 16 11:30:21 GMT 2023 , Edited by admin on Sat Dec 16 11:30:21 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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RACEMATE -> ENANTIOMER | |||
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PARENT -> SALT/SOLVATE |