Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H17N3O2.C4H6O5 |
Molecular Weight | 417.4125 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](CC(O)=O)C(O)=O.CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23
InChI
InChIKey=JNZBHHQBPHSOMU-WNQIDUERSA-N
InChI=1S/C16H17N3O2.C4H6O5/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21;5-2(4(8)9)1-3(6)7/h3-5,8-9H,6-7,17H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
Molecular Formula | C16H17N3O2 |
Molecular Weight | 283.3251 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H6O5 |
Molecular Weight | 134.0874 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:35:10 UTC 2023
by
admin
on
Sat Dec 16 01:35:10 UTC 2023
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Record UNII |
LI06Q37TEG
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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EU-Orphan Drug |
EU/3/07/483
Created by
admin on Sat Dec 16 01:35:10 UTC 2023 , Edited by admin on Sat Dec 16 01:35:10 UTC 2023
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FDA ORPHAN DRUG |
227506
Created by
admin on Sat Dec 16 01:35:10 UTC 2023 , Edited by admin on Sat Dec 16 01:35:10 UTC 2023
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NCI_THESAURUS |
C582
Created by
admin on Sat Dec 16 01:35:10 UTC 2023 , Edited by admin on Sat Dec 16 01:35:10 UTC 2023
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C522694
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C61306
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CHEMBL428676
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618863-54-0
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10216431
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YY-61
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100000128388
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LI06Q37TEG
Created by
admin on Sat Dec 16 01:35:10 UTC 2023 , Edited by admin on Sat Dec 16 01:35:10 UTC 2023
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SUB35395
Created by
admin on Sat Dec 16 01:35:10 UTC 2023 , Edited by admin on Sat Dec 16 01:35:10 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |