Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H17N3O.ClH |
Molecular Weight | 315.797 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C4=C1C=CC=C4
InChI
InChIKey=XIXYTCLDXQRHJO-RFVHGSKJSA-N
InChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
Molecular Formula | C17H17N3O |
Molecular Weight | 279.3364 |
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
Fri Dec 15 16:25:45 UTC 2023
by
admin
on
Fri Dec 15 16:25:45 UTC 2023
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Record UNII |
9551LHD87E
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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 |
C94726
Created by
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Code System | Code | Type | Description | ||
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IRRIBOW
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PRIMARY | APPROVED MAY 2015 | ||
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DB09290
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9551LHD87E
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m9493
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admin on Fri Dec 15 16:25:45 UTC 2023 , Edited by admin on Fri Dec 15 16:25:45 UTC 2023
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PRIMARY | Merck Index | ||
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107999
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100000091625
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SUB20673
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C88299
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132907-72-3
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DTXSID3021223
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admin on Fri Dec 15 16:25:45 UTC 2023 , Edited by admin on Fri Dec 15 16:25:45 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 |