Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H31NO3S.2C6H8O7 |
| Molecular Weight | 785.809 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O.COCCCS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(CCN3CCC[C@H]3C)C=C2
InChI
InChIKey=OHJSZGUPPGWNSH-JQDLGSOUSA-N
InChI=1S/C23H31NO3S.2C6H8O7/c1-19-5-3-15-24(19)16-14-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28(25,26)18-4-17-27-2;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h6-13,19H,3-5,14-18H2,1-2H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t19-;;/m1../s1
| Molecular Formula | C23H31NO3S |
| Molecular Weight | 401.562 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:39:36 GMT 2025
by
admin
on
Mon Mar 31 18:39:36 GMT 2025
|
| Record UNII |
1G739C580P
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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1G739C580P
Created by
admin on Mon Mar 31 18:39:36 GMT 2025 , Edited by admin on Mon Mar 31 18:39:36 GMT 2025
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PRIMARY | |||
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1021169-72-1
Created by
admin on Mon Mar 31 18:39:36 GMT 2025 , Edited by admin on Mon Mar 31 18:39:36 GMT 2025
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25125028
Created by
admin on Mon Mar 31 18:39:36 GMT 2025 , Edited by admin on Mon Mar 31 18:39:36 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
