Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H33ClN2O5S.ClH.H2O |
Molecular Weight | 479.459 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@@]2([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O
InChI
InChIKey=KWMXKEGEOADCEQ-WNNJHRBUSA-N
InChI=1S/C18H33ClN2O5S.ClH.H2O/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H;1H2/t9-,10+,11-,12+,13-,14+,15+,16+,18+;;/m0../s1
Molecular Formula | C18H33ClN2O5S |
Molecular Weight | 424.983 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:33:51 UTC 2023
by
admin
on
Fri Dec 15 16:33:51 UTC 2023
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Record UNII |
ZNC153389R
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C82922
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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Code System | Code | Type | Description | ||
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53302336
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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m3624
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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SUB31635
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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58207-19-5
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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ZNC153389R
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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C83630
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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100000124213
Created by
admin on Fri Dec 15 16:33:51 UTC 2023 , Edited by admin on Fri Dec 15 16:33:51 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |