Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H29N3O4S.ClH.2H2O |
| Molecular Weight | 540.072 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.Cl.CS(=O)(=O)NC1=CC2=C(OC3(CCN(CC3)[C@@H]4CCC5=C(C4)C=CC(=C5)C#N)C[C@H]2O)C=C1
InChI
InChIKey=XQQFDEAQPFJJLX-QMVBUSPDSA-N
InChI=1S/C25H29N3O4S.ClH.2H2O/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21;;;/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3;1H;2*1H2/t21-,23-;;;/m1.../s1
Approval Year
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English | ||
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Code | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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138454978
Created by
admin on Wed Apr 02 00:27:04 GMT 2025 , Edited by admin on Wed Apr 02 00:27:04 GMT 2025
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PRIMARY | |||
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H7GNC16C1N
Created by
admin on Wed Apr 02 00:27:04 GMT 2025 , Edited by admin on Wed Apr 02 00:27:04 GMT 2025
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD