Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H34N2O6S.ClH.H2O |
| Molecular Weight | 461.014 |
| 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)CN2C)[C@@H](C)O
InChI
InChIKey=LFZGYTBWUHCAKF-DCNJEFSFSA-N
InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C82922
Created by
admin on Fri Dec 15 15:13:07 UTC 2023 , Edited by admin on Fri Dec 15 15:13:07 UTC 2023
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| Code System | Code | Type | Description | ||
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SUB02924MIG
Created by
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DTXSID30992444
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7179-49-9
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SUB02925MIG
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m6825
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1367005
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71476
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757092
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M6T05Z2B68
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DBSALT000109
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100000086129
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CHEMBL1447
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C66013
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82036
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M6T05Z2B68
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70731
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admin on Fri Dec 15 15:13:07 UTC 2023 , Edited by admin on Fri Dec 15 15:13:07 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD