Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H18FN5O.ClH |
| Molecular Weight | 483.924 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1C=NC=C1[C@](N)(C2=CC3=CC(=CC(=C3O2)C4=CC=CC(F)=C4)C#N)C5=CC=C(C=C5)C#N
InChI
InChIKey=DHZLQURNGPPCOU-YCBFMBTMSA-N
InChI=1S/C27H18FN5O.ClH/c1-33-16-32-15-24(33)27(31,21-7-5-17(13-29)6-8-21)25-12-20-9-18(14-30)10-23(26(20)34-25)19-3-2-4-22(28)11-19;/h2-12,15-16H,31H2,1H3;1H/t27-;/m0./s1
| Molecular Formula | C27H18FN5O |
| Molecular Weight | 447.4631 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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
Sat Dec 16 18:31:25 UTC 2023
by
admin
on
Sat Dec 16 18:31:25 UTC 2023
|
| Record UNII |
WP49NS523N
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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WP49NS523N
Created by
admin on Sat Dec 16 18:31:26 UTC 2023 , Edited by admin on Sat Dec 16 18:31:26 UTC 2023
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1243152-98-8
Created by
admin on Sat Dec 16 18:31:26 UTC 2023 , Edited by admin on Sat Dec 16 18:31:26 UTC 2023
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155928858
Created by
admin on Sat Dec 16 18:31:26 UTC 2023 , Edited by admin on Sat Dec 16 18:31:26 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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