Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H24N2.H2O4S |
| Molecular Weight | 402.507 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC1=CC2=C(C=C1)N(CCC3=CN=C(C)C=C3)C4=C2CCCC4
InChI
InChIKey=XUCJJCRLGLINLS-UHFFFAOYSA-N
InChI=1S/C21H24N2.H2O4S/c1-15-7-10-21-19(13-15)18-5-3-4-6-20(18)23(21)12-11-17-9-8-16(2)22-14-17;1-5(2,3)4/h7-10,13-14H,3-6,11-12H2,1-2H3;(H2,1,2,3,4)
| Molecular Formula | C21H24N2 |
| Molecular Weight | 304.4287 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:49:43 GMT 2025
by
admin
on
Mon Mar 31 17:49:43 GMT 2025
|
| Record UNII |
U7ZM52A3NT
|
| Record Status |
Validated (UNII)
|
| Record Version |
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Preferred Name | English | ||
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Systematic Name | English |
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22204-94-0
Created by
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100105-91-7
Created by
admin on Mon Mar 31 17:49:43 GMT 2025 , Edited by admin on Mon Mar 31 17:49:43 GMT 2025
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NON-SPECIFIC STOICHIOMETRY | |||
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U7ZM52A3NT
Created by
admin on Mon Mar 31 17:49:43 GMT 2025 , Edited by admin on Mon Mar 31 17:49:43 GMT 2025
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PRIMARY | |||
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23619755
Created by
admin on Mon Mar 31 17:49:43 GMT 2025 , Edited by admin on Mon Mar 31 17:49:43 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
