Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H16O6.2C19H17N3.2H2O |
Molecular Weight | 999.1169 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.NC1=CC=C(C=C1)C(C2=CC=C(N)C=C2)=C3C=CC(=N)C=C3.NC4=CC=C(C=C4)C(C5=CC=C(N)C=C5)=C6C=CC(=N)C=C6.OC(=O)C7=CC8=C(C=CC=C8)C(CC9=C%10C=CC=CC%10=CC(C(O)=O)=C9O)=C7O
InChI
InChIKey=HFAAHEOLTBJLBO-UHFFFAOYSA-N
InChI=1S/C23H16O6.2C19H17N3.2H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*1-12,20H,21-22H2;2*1H2
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3695 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C19H17N3 |
Molecular Weight | 287.3584 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:20:26 UTC 2023
by
admin
on
Fri Dec 15 16:20:26 UTC 2023
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Record UNII |
856KL5XV3O
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C461
Created by
admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
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11980056
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107529
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758408
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7232-51-1
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admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
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C87719
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admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
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CHEMBL1368322
Created by
admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
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856KL5XV3O
Created by
admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
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DTXSID20894185
Created by
admin on Fri Dec 15 16:20:26 UTC 2023 , Edited by admin on Fri Dec 15 16:20:26 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |