Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H32N.CH3O4S |
| Molecular Weight | 409.583 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COS([O-])(=O)=O.C[N+]3(CC[C@@H](C1=CCCCC1)C2=CC=CC=C2)CCCCC3
InChI
InChIKey=DPQPWAGLQYSJRP-ZMBIFBSDSA-M
InChI=1S/C21H32N.CH4O4S/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;1-5-6(2,3)4/h2,5-6,11-13,21H,3-4,7-10,14-18H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t21-;/m1./s1
| Molecular Formula | CH3O4S |
| Molecular Weight | 111.097 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H32N |
| Molecular Weight | 298.4855 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:13:00 UTC 2023
by
admin
on
Sat Dec 16 09:13:00 UTC 2023
|
| Record UNII |
9T5Z840BOH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English |
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9T5Z840BOH
Created by
admin on Sat Dec 16 09:13:01 UTC 2023 , Edited by admin on Sat Dec 16 09:13:01 UTC 2023
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PRIMARY | |||
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76969103
Created by
admin on Sat Dec 16 09:13:01 UTC 2023 , Edited by admin on Sat Dec 16 09:13:01 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
