Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H17ClFN3O3.ClH |
Molecular Weight | 402.248 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.N[C@H]1CCN(C1)C2=C(Cl)C3=C(C=C2F)C(=O)C(=CN3C4CC4)C(O)=O
InChI
InChIKey=BMACYHMTJHBPOX-QRPNPIFTSA-N
InChI=1S/C17H17ClFN3O3.ClH/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9;/h5,7-9H,1-4,6,20H2,(H,24,25);1H/t8-;/m0./s1
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 |
Molecular Formula | C17H17ClFN3O3 |
Molecular Weight | 365.787 |
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
Fri Dec 15 17:16:11 GMT 2023
by
admin
on
Fri Dec 15 17:16:11 GMT 2023
|
Record UNII |
2U830Y0IH4
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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133298-68-7
Created by
admin on Fri Dec 15 17:16:11 GMT 2023 , Edited by admin on Fri Dec 15 17:16:11 GMT 2023
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PRIMARY | |||
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2U830Y0IH4
Created by
admin on Fri Dec 15 17:16:11 GMT 2023 , Edited by admin on Fri Dec 15 17:16:11 GMT 2023
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PRIMARY | |||
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66618483
Created by
admin on Fri Dec 15 17:16:11 GMT 2023 , Edited by admin on Fri Dec 15 17:16:11 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |