Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H21ClFN3O3.ClH |
Molecular Weight | 430.301 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.N[C@@H]1CCCCN(C1)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=C2Cl)C(O)=O
InChI
InChIKey=PMQBICKXAAKXAY-HNCPQSOCSA-N
InChI=1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./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 | C19H21ClFN3O3 |
Molecular Weight | 393.84 |
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 15:30:15 UTC 2023
by
admin
on
Fri Dec 15 15:30:15 UTC 2023
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Record UNII |
7506A6J57T
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C795
Created by
admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
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Code System | Code | Type | Description | ||
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m2448
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admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
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PRIMARY | Merck Index | ||
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100000143395
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C76228
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TT-06
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405165-61-9
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DBSALT000018
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CHEMBL1201760
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DTXSID20193529
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10224595
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7506A6J57T
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SUB120189
Created by
admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |