Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H23ClN2O8.H2O4S |
Molecular Weight | 576.958 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(C(Cl)=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
InChI
InChIKey=GQUMQTDURIYYIA-MRFRVZCGSA-N
InChI=1S/C22H23ClN2O8.H2O4S/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;1-5(2,3)4/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);(H2,1,2,3,4)/t7-,8-,15-,21-,22-;/m0./s1
Molecular Formula | C22H23ClN2O8 |
Molecular Weight | 478.88 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
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 14:57:31 UTC 2023
by
admin
on
Fri Dec 15 14:57:31 UTC 2023
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Record UNII |
1D06KZ672I
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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 |
C1595
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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Code System | Code | Type | Description | ||
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300000023851
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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PRIMARY | |||
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C76989
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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54715349
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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CHEMBL404520
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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1D06KZ672I
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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DBSALT001619
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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27823-62-7
Created by
admin on Fri Dec 15 14:57:31 UTC 2023 , Edited by admin on Fri Dec 15 14:57:31 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |