Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H23F3N6O |
| Molecular Weight | 432.4421 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)N4N=NN=C4C(F)(F)F
InChI
InChIKey=XILNRORTJVDYRH-HKUYNNGSSA-N
InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1
Approval Year
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Code | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C267
Created by
admin on Fri Dec 15 16:26:38 UTC 2023 , Edited by admin on Fri Dec 15 16:26:38 UTC 2023
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DB12436
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K08BK043YS
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168266-90-8
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CHEMBL522302
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6918331
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C72949
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SUB05124MIG
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Vofopitant
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100000087885
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DTXSID10870099
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7942
Created by
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)
