Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H24N4O |
Molecular Weight | 312.4094 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C4=CC=CC=C14
InChI
InChIKey=MFWNKCLOYSRHCJ-BTTYYORXSA-N
InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
Molecular Formula | C18H24N4O |
Molecular Weight | 312.4094 |
Charge | 0 |
Count |
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Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:10 UTC 2023
by
admin
on
Fri Dec 15 15:55:10 UTC 2023
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Record UNII |
WZG3J2MCOL
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Record Status |
Validated (UNII)
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Record Version |
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-
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Brand Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C94726
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NCI_THESAURUS |
C267
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NDF-RT |
N0000175817
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WHO-VATC |
QA04AA02
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LIVERTOX |
467
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WHO-ATC |
A04AA02
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NDF-RT |
N0000175818
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EMA ASSESSMENT REPORTS |
SANCUSO (AUTHORIZED: VOMITTING)
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admin on Fri Dec 15 15:55:10 UTC 2023 , Edited by admin on Fri Dec 15 15:55:10 UTC 2023
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Code System | Code | Type | Description | ||
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6230
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PRIMARY | |||
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DB00889
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PRIMARY | |||
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m5842
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PRIMARY | Merck Index | ||
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109889-09-0
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PRIMARY | |||
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DTXSID0023111
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PRIMARY | |||
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WZG3J2MCOL
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PRIMARY | |||
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CHEMBL289469
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DD-30
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PRIMARY | |||
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2300
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PRIMARY | |||
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100000084258
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PRIMARY | |||
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D017829
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PRIMARY | |||
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C62031
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PRIMARY | |||
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124998-65-8
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NON-SPECIFIC STEREOCHEMISTRY | |||
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GRANISETRON
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WZG3J2MCOL
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PRIMARY | |||
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1298092
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PRIMARY | |||
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SUB07964MIG
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5537
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1329
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26237
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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LABELED -> NON-LABELED |
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BINDER->LIGAND |
BINDING
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EXCRETED UNCHANGED |
Based on a study with intravenous injection, approximately 12% of the dose is excreted unchanged in the urine of healthy subjects in 48 hours.
AMOUNT EXCRETED
URINE
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TARGET -> INHIBITOR |
IC50
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Related Record | Type | Details | ||
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METABOLITE ACTIVE -> PARENT |
After both oral and intravenous administration, the metabolite is present at about 10% of that of the parent (Clarke et al., 1994; Boppana, 1995). Assuming similar free fractions, it can be estimated that the metabolite would contribute about 20% of the activity of the parent.
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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Volume of Distribution | PHARMACOKINETIC |
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Tmax | PHARMACOKINETIC |
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following patch application |
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