Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H23ClN2O7S |
Molecular Weight | 482.935 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]4(OC1=CC=C2N(CCCN)C3=C(SC2=C1)C=CC(Cl)=C3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O
InChI
InChIKey=XWBUNTLAAJOGNQ-ZFORQUDYSA-N
InChI=1S/C21H23ClN2O7S/c22-10-2-5-14-13(8-10)24(7-1-6-23)12-4-3-11(9-15(12)32-14)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h2-5,8-9,16-19,21,25-27H,1,6-7,23H2,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
Approval Year
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DTXSID201136034
Created by
admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
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52247-94-6
Created by
admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
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155928779
Created by
admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
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FF5BHM455R
Created by
admin on Sat Dec 16 13:57:12 GMT 2023 , Edited by admin on Sat Dec 16 13:57:12 GMT 2023
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PRIMARY |
PARENT (METABOLITE)
SUBSTANCE RECORD