Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H20Cl2N4O7 |
Molecular Weight | 535.334 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1[C@@H](O)[C@H](OCC2=NN=C3CN=C(C4=CC=CC=C4Cl)C5=CC(Cl)=CC=C5N23)O[C@@H]([C@H]1O)C(O)=O
InChI
InChIKey=RDLSZWLBSGMZJL-KHYDEXNFSA-N
InChI=1S/C23H20Cl2N4O7/c24-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)25)26-8-15-27-28-16(29(14)15)9-35-23-20(32)18(30)19(31)21(36-23)22(33)34/h1-7,18-21,23,30-32H,8-9H2,(H,33,34)/t18-,19-,20+,21-,23+/m0/s1
Molecular Formula | C23H20Cl2N4O7 |
Molecular Weight | 535.334 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:58:25 GMT 2023
by
admin
on
Sat Dec 16 13:58:25 GMT 2023
|
Record UNII |
VEN8FQ74DX
|
Record Status |
Validated (UNII)
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Record Version |
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-
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102373781
Created by
admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023
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VEN8FQ74DX
Created by
admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023
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76936-97-5
Created by
admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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Major urine metabolite
URINE
|