Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H28NO3.C7H7O3S.H2O |
| Molecular Weight | 507.639 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| 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 / 3 |
| 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
Tue Apr 01 16:29:16 GMT 2025
by
admin
on
Tue Apr 01 16:29:16 GMT 2025
|
| Record UNII |
O811AAI38B
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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1883451-11-3
Created by
admin on Tue Apr 01 16:29:16 GMT 2025 , Edited by admin on Tue Apr 01 16:29:16 GMT 2025
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PRIMARY | |||
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121225723
Created by
admin on Tue Apr 01 16:29:16 GMT 2025 , Edited by admin on Tue Apr 01 16:29:16 GMT 2025
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PRIMARY | |||
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O811AAI38B
Created by
admin on Tue Apr 01 16:29:16 GMT 2025 , Edited by admin on Tue Apr 01 16:29:16 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
RACEMATE -> ENANTIOMER | |||
|
|
PARENT -> SALT/SOLVATE |