Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H24NO4.CH3O4S |
Molecular Weight | 429.485 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COS([O-])(=O)=O.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2[N+]3(C)C)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI
InChIKey=KHMGIQHRSVLFQG-RAFJPFSSSA-M
InChI=1S/C18H24NO4.CH4O4S/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;1-5-6(2,3)4/h3-7,12-17,20H,8-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/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 | C18H24NO4 |
Molecular Weight | 318.3875 |
Charge | 1 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:41:28 UTC 2023
by
admin
on
Sat Dec 16 04:41:28 UTC 2023
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Record UNII |
R044N53C06
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Record Status |
Validated (UNII)
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Record Version |
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-
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SUB14159MIG
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100000077608
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R044N53C06
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CHEMBL1201268
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DTXSID50939371
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SUB36127
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18067-13-5
Created by
admin on Sat Dec 16 04:41:28 UTC 2023 , Edited by admin on Sat Dec 16 04:41:28 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |