Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C21H41N5O7.5H2O4S |
Molecular Weight | 1441.551 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 22 / 22 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C@]3(O[C@@H]1[C@@H](N)C[C@@H](NCC)[C@H](O[C@@]2([H])OC[C@](C)(O)[C@H](NC)[C@H]2O)[C@H]1O)OC(CN)=CC[C@H]3N.[H][C@]6(O[C@@H]4[C@@H](N)C[C@@H](NCC)[C@H](O[C@@]5([H])OC[C@](C)(O)[C@H](NC)[C@H]5O)[C@H]4O)OC(CN)=CC[C@H]6N
InChI
InChIKey=AGFWIZQEWFGATK-UNZHCMSXSA-N
InChI=1S/2C21H41N5O7.5H2O4S/c2*1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;5*1-5(2,3)4/h2*5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5*(H2,1,2,3,4)/t2*11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m11...../s1
Molecular Formula | C21H41N5O7 |
Molecular Weight | 475.5795 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 11 / 11 |
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 15:56:08 UTC 2023
by
admin
on
Fri Dec 15 15:56:08 UTC 2023
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Record UNII |
S741ZJS97U
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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 |
C2363
Created by
admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL1572
Created by
admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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260-147-3
Created by
admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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203193
Created by
admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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1460500
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admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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56391-57-2
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DBSALT001164
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admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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m7834
Created by
admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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PRIMARY | Merck Index | ||
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S741ZJS97U
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admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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100000085716
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SUB03415MIG
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admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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C66237
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62115
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DTXSID8045484
Created by
admin on Fri Dec 15 15:56:08 UTC 2023 , Edited by admin on Fri Dec 15 15:56:08 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |