Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H19N2O9S.Na |
Molecular Weight | 510.449 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12N([C@@H](C([O-])=O)[C@](C)(COC(=O)CC3=CC=C(O)C(O)=C3)S1(=O)=O)C(=O)\C2=C\C4=NC=CC=C4
InChI
InChIKey=OISRDGHGSAOFKW-OIGABSMWSA-M
InChI=1S/C22H20N2O9S.Na/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13;/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30);/q;+1/p-1/b14-10-;/t18-,20+,22-;/m0./s1
Approval Year
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23672118
Created by
admin on Sat Dec 16 08:06:53 GMT 2023 , Edited by admin on Sat Dec 16 08:06:53 GMT 2023
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PRIMARY | |||
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247115-03-3
Created by
admin on Sat Dec 16 08:06:53 GMT 2023 , Edited by admin on Sat Dec 16 08:06:53 GMT 2023
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RWF5DLZ74F
Created by
admin on Sat Dec 16 08:06:53 GMT 2023 , Edited by admin on Sat Dec 16 08:06:53 GMT 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD