Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H25ClO6.2C5H9NO2 |
| Molecular Weight | 639.134 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)[C@@H]1CCCN1.OC(=O)[C@@H]2CCCN2.CCOC3=CC=C(CC4=C(Cl)C=CC(=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C3
InChI
InChIKey=SAKQQYWVEGDWOE-UFLUWJSBSA-N
InChI=1S/C21H25ClO6.2C5H9NO2/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21;2*7-5(8)4-2-1-3-6-4/h3-8,10,17-21,23-26H,2,9,11H2,1H3;2*4,6H,1-3H2,(H,7,8)/t17-,18-,19+,20-,21+;2*4-/m100/s1
| Molecular Formula | C21H25ClO6 |
| Molecular Weight | 408.873 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.1305 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:27:32 UTC 2023
by
admin
on
Sat Dec 16 19:27:32 UTC 2023
|
| Record UNII |
Q54R5GG9QQ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Q54R5GG9QQ
Created by
admin on Sat Dec 16 19:27:32 UTC 2023 , Edited by admin on Sat Dec 16 19:27:32 UTC 2023
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25032144
Created by
admin on Sat Dec 16 19:27:32 UTC 2023 , Edited by admin on Sat Dec 16 19:27:32 UTC 2023
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960404-62-0
Created by
admin on Sat Dec 16 19:27:32 UTC 2023 , Edited by admin on Sat Dec 16 19:27:32 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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