Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H27NO4S.ClH.H2O |
| Molecular Weight | 528.06 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.OC1=CC=C(C=C1)C2=C(C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5S2
InChI
InChIKey=YFADBTZUWTYIFR-UHFFFAOYSA-N
InChI=1S/C28H27NO4S.ClH.H2O/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;;/h4-13,18,30-31H,1-3,14-17H2;1H;1H2
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C28H27NO4S |
| Molecular Weight | 473.583 |
| 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
Sat Dec 16 18:12:09 UTC 2023
by
admin
on
Sat Dec 16 18:12:09 UTC 2023
|
| Record UNII |
T67D4XMG4Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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24772103
Created by
admin on Sat Dec 16 18:12:09 UTC 2023 , Edited by admin on Sat Dec 16 18:12:09 UTC 2023
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PRIMARY | |||
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T67D4XMG4Q
Created by
admin on Sat Dec 16 18:12:09 UTC 2023 , Edited by admin on Sat Dec 16 18:12:09 UTC 2023
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PRIMARY | |||
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1020061-04-4
Created by
admin on Sat Dec 16 18:12:09 UTC 2023 , Edited by admin on Sat Dec 16 18:12:09 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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