Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H21N5O4.C4H6O6 |
Molecular Weight | 497.4559 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=O)C1=C(N)N(C=N1)[C@@H]2O[C@H](CNCC3=CC=CC=C3)[C@@H](O)[C@H]2O
InChI
InChIKey=VKQWMBKJUARLCQ-REMRMEERSA-N
InChI=1S/C16H21N5O4.C4H6O6/c17-14-11(15(18)24)20-8-21(14)16-13(23)12(22)10(25-16)7-19-6-9-4-2-1-3-5-9;5-1(3(7)8)2(6)4(9)10/h1-5,8,10,12-13,16,19,22-23H,6-7,17H2,(H2,18,24);1-2,5-6H,(H,7,8)(H,9,10)/t10-,12-,13-,16-;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 | C16H21N5O4 |
Molecular Weight | 347.369 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:39:18 GMT 2023
by
admin
on
Fri Dec 15 15:39:18 GMT 2023
|
Record UNII |
3M6N6O3AH6
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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911205-04-4
Created by
admin on Fri Dec 15 15:39:18 GMT 2023 , Edited by admin on Fri Dec 15 15:39:18 GMT 2023
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PRIMARY | |||
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131801087
Created by
admin on Fri Dec 15 15:39:18 GMT 2023 , Edited by admin on Fri Dec 15 15:39:18 GMT 2023
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PRIMARY | |||
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3M6N6O3AH6
Created by
admin on Fri Dec 15 15:39:18 GMT 2023 , Edited by admin on Fri Dec 15 15:39:18 GMT 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |