Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H30N2O4.ClH.H2O |
Molecular Weight | 476.993 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C4=CC=C(C=C4)C(O)=O
InChI
InChIKey=JUWBBUFSAGEROP-VVJLZRNGSA-N
InChI=1S/C25H30N2O4.ClH.H2O/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3;;/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29);1H;1H2/t19-,22-;;/m0../s1
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 | C25H30N2O4 |
Molecular Weight | 422.5167 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:28:34 GMT 2023
by
admin
on
Sat Dec 16 18:28:34 GMT 2023
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Record UNII |
XW5CK7C6YH
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Record Status |
Validated (UNII)
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Record Version |
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-
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JK-157
Created by
admin on Sat Dec 16 18:28:35 GMT 2023 , Edited by admin on Sat Dec 16 18:28:35 GMT 2023
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300000046690
Created by
admin on Sat Dec 16 18:28:35 GMT 2023 , Edited by admin on Sat Dec 16 18:28:35 GMT 2023
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2447007-60-3
Created by
admin on Sat Dec 16 18:28:35 GMT 2023 , Edited by admin on Sat Dec 16 18:28:35 GMT 2023
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C186416
Created by
admin on Sat Dec 16 18:28:35 GMT 2023 , Edited by admin on Sat Dec 16 18:28:35 GMT 2023
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156613702
Created by
admin on Sat Dec 16 18:28:35 GMT 2023 , Edited by admin on Sat Dec 16 18:28:35 GMT 2023
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XW5CK7C6YH
Created by
admin on Sat Dec 16 18:28:35 GMT 2023 , Edited by admin on Sat Dec 16 18:28:35 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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