Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H20N2.C4H4O4 |
| Molecular Weight | 332.3942 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(C)(C)CCC#C[C@@H]1C[C@H]1C2=CNC=N2
InChI
InChIKey=QIQWRCNAPQJQLL-COALEZEGSA-N
InChI=1S/C14H20N2.C4H4O4/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13;5-3(6)1-2-4(7)8/h9-12H,5,7-8H2,1-3H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1509
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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7ENI812SZS
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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PRIMARY | |||
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CHEMBL278462
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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MM-47
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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PRIMARY | |||
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223420-20-0
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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PRIMARY | |||
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300000044617
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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PRIMARY | |||
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6450822
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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PRIMARY | |||
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C76885
Created by
admin on Fri Dec 15 16:37:52 UTC 2023 , Edited by admin on Fri Dec 15 16:37:52 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
