Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H22Cl2FN5O.ClH |
| Molecular Weight | 486.798 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.C[C@@H](OC1=CC(=CN=C1N)C2=CN(N=C2)C3CCNCC3)C4=C(Cl)C=CC(F)=C4Cl
InChI
InChIKey=BTDNHKQCPIBABF-UTONKHPSSA-N
InChI=1S/C21H22Cl2FN5O.ClH/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);1H/t12-;/m1./s1
| Molecular Formula | C21H22Cl2FN5O |
| Molecular Weight | 450.337 |
| 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 20:18:38 UTC 2023
by
admin
on
Sat Dec 16 20:18:38 UTC 2023
|
| Record UNII |
Z63P44CE4Z
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Z63P44CE4Z
Created by
admin on Sat Dec 16 20:18:38 UTC 2023 , Edited by admin on Sat Dec 16 20:18:38 UTC 2023
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1415560-69-8
Created by
admin on Sat Dec 16 20:18:38 UTC 2023 , Edited by admin on Sat Dec 16 20:18:38 UTC 2023
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71576688
Created by
admin on Sat Dec 16 20:18:38 UTC 2023 , Edited by admin on Sat Dec 16 20:18:38 UTC 2023
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PRIMARY |
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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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