Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H36N2O4.3H2O.H2O4S |
| Molecular Weight | 616.721 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.OS(O)(=O)=O.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1CC4=NCCC5=C4C=C(OC)C(O)=C5
InChI
InChIKey=DWKPLAQLZCCHJM-XITUUATBSA-N
InChI=1S/C28H36N2O4.H2O4S.3H2O/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;1-5(2,3)4;;;/h12-15,17,20,24,31H,5-11,16H2,1-4H3;(H2,1,2,3,4);3*1H2/t17-,20-,24-;;;;/m0..../s1
| 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 | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C28H36N2O4 |
| Molecular Weight | 464.5964 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:49:15 GMT 2025
by
admin
on
Mon Mar 31 20:49:15 GMT 2025
|
| Record UNII |
M84B114L44
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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M84B114L44
Created by
admin on Mon Mar 31 20:49:15 GMT 2025 , Edited by admin on Mon Mar 31 20:49:15 GMT 2025
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PRIMARY | |||
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135565535
Created by
admin on Mon Mar 31 20:49:15 GMT 2025 , Edited by admin on Mon Mar 31 20:49:15 GMT 2025
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PRIMARY | |||
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6164-91-6
Created by
admin on Mon Mar 31 20:49:15 GMT 2025 , Edited by admin on Mon Mar 31 20:49:15 GMT 2025
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PRIMARY | |||
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m9308
Created by
admin on Mon Mar 31 20:49:15 GMT 2025 , Edited by admin on Mon Mar 31 20:49:15 GMT 2025
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
