Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C23H27ClN2O8S |
| Molecular Weight | 526.987 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Stereochemistry at sulfoxide unknown |
SHOW SMILES / InChI
SMILES
[H][C@@]4(OC1=CC=C2N(CCCN(C)C)C3=C(C=CC(Cl)=C3)[S+]([O-])C2=C1)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O
InChI
InChIKey=RCPGKHCGDNTZFC-GUOZVAJKSA-N
InChI=1S/C23H27ClN2O8S/c1-25(2)8-3-9-26-14-6-5-13(11-17(14)35(32)16-7-4-12(24)10-15(16)26)33-23-20(29)18(27)19(28)21(34-23)22(30)31/h4-7,10-11,18-21,23,27-29H,3,8-9H2,1-2H3,(H,30,31)/t18-,19-,20+,21-,23+,35?/m0/s1
| Molecular Formula | C23H27ClN2O8S |
| Molecular Weight | 526.987 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:57:09 GMT 2023
by
admin
on
Sat Dec 16 13:57:09 GMT 2023
|
| Record UNII |
WC539X9GR2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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156028135
Created by
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WC539X9GR2
Created by
admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
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52247-95-7
Created by
admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
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DTXSID901116152
Created by
admin on Sat Dec 16 13:57:09 GMT 2023 , Edited by admin on Sat Dec 16 13:57:09 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
