Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H36N4O11.H2O4S |
Molecular Weight | 582.577 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@]3(O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@@]2([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O)O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O
InChI
InChIKey=OOYGSFOGFJDDHP-KMCOLRRFSA-N
InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1
Molecular Formula | C18H36N4O11 |
Molecular Weight | 484.4986 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
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 15:21:01 UTC 2023
by
admin
on
Fri Dec 15 15:21:01 UTC 2023
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Record UNII |
J80EX28SMQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C2363
Created by
admin on Fri Dec 15 15:21:01 UTC 2023 , Edited by admin on Fri Dec 15 15:21:01 UTC 2023
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CFR |
21 CFR 522.1204
Created by
admin on Fri Dec 15 15:21:01 UTC 2023 , Edited by admin on Fri Dec 15 15:21:01 UTC 2023
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J80EX28SMQ
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DBSALT000401
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25389-94-0
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CHEMBL1384
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SUB02822MIG
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SUB12093MIG
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C76152
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m6599
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DTXSID1047524
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757068
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
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ACTIVE MOIETY |
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