Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C22H27FN3O6S.Ca |
| Molecular Weight | 1001.137 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O.CC(C)C3=NC(=NC(C4=CC=C(F)C=C4)=C3\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
InChI
InChIKey=LALFOYNTGMUKGG-BGRFNVSISA-L
InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1
Approval Year
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NCI_THESAURUS |
C1655
Created by
admin on Fri Dec 15 16:08:09 UTC 2023 , Edited by admin on Fri Dec 15 16:08:09 UTC 2023
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5282455
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DBSALT000154
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758930
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100000091449
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147098-20-2
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83MVU38M7Q
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77249
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323828
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1606015
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C61933
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83MVU38M7Q
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DTXSID9045928
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SUB20721
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CHEMBL1496
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747274
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MM-84
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m9672
Created by
admin on Fri Dec 15 16:08:09 UTC 2023 , Edited by admin on Fri Dec 15 16:08:09 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
SUBSTANCE RECORD