Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H25N3O2.C4H6O6 |
Molecular Weight | 501.5289 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12NCC[C@@]1(C)C3=C(N2)C=CC(OC(=O)NC4=CC=C(C=C4)C(C)C)=C3
InChI
InChIKey=VLBFBWKWLMBEPA-BNBZVHDBSA-N
InChI=1S/C21H25N3O2.C4H6O6/c1-13(2)14-4-6-15(7-5-14)23-20(25)26-16-8-9-18-17(12-16)21(3)10-11-22-19(21)24-18;5-1(3(7)8)2(6)4(9)10/h4-9,12-13,19,22,24H,10-11H2,1-3H3,(H,23,25);1-2,5-6H,(H,7,8)(H,9,10)/t19-,21+;1-,2-/m11/s1
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C21H25N3O2 |
Molecular Weight | 351.4421 |
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 09:11:21 GMT 2023
by
admin
on
Sat Dec 16 09:11:21 GMT 2023
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Record UNII |
Z2N8V30KGU
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Record Status |
Validated (UNII)
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Record Version |
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-
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72941939
Created by
admin on Sat Dec 16 09:11:21 GMT 2023 , Edited by admin on Sat Dec 16 09:11:21 GMT 2023
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Z2N8V30KGU
Created by
admin on Sat Dec 16 09:11:21 GMT 2023 , Edited by admin on Sat Dec 16 09:11:21 GMT 2023
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887028-62-8
Created by
admin on Sat Dec 16 09:11:21 GMT 2023 , Edited by admin on Sat Dec 16 09:11:21 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |