Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H36N2O6S.ClH.H2O |
Molecular Weight | 475.04 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.[H][C@@]1(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)[C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2CC)[C@@H](C)O
InChI
InChIKey=JGNXSAYBQGJDFR-BKRJYKRMSA-N
InChI=1S/C19H36N2O6S.ClH.H2O/c1-5-7-11-8-12(21(6-2)9-11)18(26)20-13(10(3)22)17-15(24)14(23)16(25)19(27-17)28-4;;/h10-17,19,22-25H,5-9H2,1-4H3,(H,20,26);1H;1H2/t10-,11-,12+,13-,14+,15-,16-,17-,19-;;/m1../s1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C19H36N2O6S |
Molecular Weight | 420.564 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:49:56 GMT 2023
by
admin
on
Fri Dec 15 15:49:56 GMT 2023
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Record UNII |
4JVC3Q5DQV
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Record Status |
Validated (UNII)
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Record Version |
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-
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23298-12-6
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4JVC3Q5DQV
Created by
admin on Fri Dec 15 15:49:56 GMT 2023 , Edited by admin on Fri Dec 15 15:49:56 GMT 2023
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DTXSID30274939
Created by
admin on Fri Dec 15 15:49:56 GMT 2023 , Edited by admin on Fri Dec 15 15:49:56 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |