Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H22FN7O3.H2O |
Molecular Weight | 481.4796 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.COCCOC1=CC2=C(C=CN([C@H](C)C3=NN=C4N3C=C(C=C4F)C5=CN(C)N=C5)C2=O)N=C1
InChI
InChIKey=FQOJZRILDACBLT-PFEQFJNWSA-N
InChI=1S/C23H22FN7O3.H2O/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16;/h4-5,8-14H,6-7H2,1-3H3;1H2/t14-;/m1./s1
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 |
Molecular Formula | C23H22FN7O3 |
Molecular Weight | 463.4643 |
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 01:43:05 UTC 2023
by
admin
on
Sat Dec 16 01:43:05 UTC 2023
|
Record UNII |
H9QF5PWS0D
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Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
Code System | Code | Type | Description | ||
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H9QF5PWS0D
Created by
admin on Sat Dec 16 01:43:05 UTC 2023 , Edited by admin on Sat Dec 16 01:43:05 UTC 2023
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1643590-78-6
Created by
admin on Sat Dec 16 01:43:05 UTC 2023 , Edited by admin on Sat Dec 16 01:43:05 UTC 2023
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122201344
Created by
admin on Sat Dec 16 01:43:05 UTC 2023 , Edited by admin on Sat Dec 16 01:43:05 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |