Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H23NO3.C12H22O12 |
| Molecular Weight | 659.676 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](CCC1=CC=C(O)C=C1)NCCC2=CC=C(O)C(O)=C2.OC[C@@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)C(O)=O
InChI
InChIKey=XSGHHWMGNIMZCA-QCCNJQOUSA-N
InChI=1S/C18H23NO3.C12H22O12/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h4-9,12-13,19-22H,2-3,10-11H2,1H3;3-10,12-20H,1-2H2,(H,21,22)/t13-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m01/s1
| Molecular Formula | C18H23NO3 |
| Molecular Weight | 301.3801 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C12H22O12 |
| Molecular Weight | 358.2959 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:20:28 GMT 2025
by
admin
on
Mon Mar 31 19:20:28 GMT 2025
|
| Record UNII |
0ASL272RF4
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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100000141025
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CHEMBL1367478
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admin on Mon Mar 31 19:20:28 GMT 2025 , Edited by admin on Mon Mar 31 19:20:28 GMT 2025
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C175111
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20055401
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SUB90588
Created by
admin on Mon Mar 31 19:20:28 GMT 2025 , Edited by admin on Mon Mar 31 19:20:28 GMT 2025
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129388-07-4
Created by
admin on Mon Mar 31 19:20:28 GMT 2025 , Edited by admin on Mon Mar 31 19:20:28 GMT 2025
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0ASL272RF4
Created by
admin on Mon Mar 31 19:20:28 GMT 2025 , Edited by admin on Mon Mar 31 19:20:28 GMT 2025
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CC-32
Created by
admin on Mon Mar 31 19:20:28 GMT 2025 , Edited by admin on Mon Mar 31 19:20:28 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |