Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H27NO2.C6H6O3S |
| Molecular Weight | 435.577 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.COC2=CC=C(C=C2)[C@@H](CN(C)C)C3(O)CCCCC3
InChI
InChIKey=PTEFWGKCGCNHDM-PKLMIRHRSA-N
InChI=1S/C17H27NO2.C6H6O3S/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;7-10(8,9)6-4-2-1-3-5-6/h7-10,16,19H,4-6,11-13H2,1-3H3;1-5H,(H,7,8,9)/t16-;/m1./s1
| Molecular Formula | C17H27NO2 |
| Molecular Weight | 277.4018 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| 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
Wed Apr 02 01:27:50 GMT 2025
by
admin
on
Wed Apr 02 01:27:50 GMT 2025
|
| Record UNII |
AL5UH8PGJ7
|
| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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133082408
Created by
admin on Wed Apr 02 01:27:50 GMT 2025 , Edited by admin on Wed Apr 02 01:27:50 GMT 2025
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PRIMARY | |||
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AL5UH8PGJ7
Created by
admin on Wed Apr 02 01:27:50 GMT 2025 , Edited by admin on Wed Apr 02 01:27:50 GMT 2025
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PRIMARY | |||
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609345-61-1
Created by
admin on Wed Apr 02 01:27:50 GMT 2025 , Edited by admin on Wed Apr 02 01:27:50 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
RACEMATE -> ENANTIOMER | |||
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PARENT -> SALT/SOLVATE |