Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H21ClN4O4S |
| Molecular Weight | 472.945 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC=C(O)C(Cl)=C4)C3=C2
InChI
InChIKey=SVTCWAMLLWYBEI-UHFFFAOYSA-N
InChI=1S/C22H21ClN4O4S/c1-32(29,30)9-8-24-12-16-4-7-21(31-16)14-2-5-19-17(10-14)22(26-13-25-19)27-15-3-6-20(28)18(23)11-15/h2-7,10-11,13,24,28H,8-9,12H2,1H3,(H,25,26,27)
| Molecular Formula | C22H21ClN4O4S |
| Molecular Weight | 472.945 |
| 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
Sat Dec 16 08:23:21 UTC 2023
by
admin
on
Sat Dec 16 08:23:21 UTC 2023
|
| Record UNII |
8PL9CEZ8WK
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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71315271
Created by
admin on Sat Dec 16 08:23:21 UTC 2023 , Edited by admin on Sat Dec 16 08:23:21 UTC 2023
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PRIMARY | |||
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1268997-70-1
Created by
admin on Sat Dec 16 08:23:21 UTC 2023 , Edited by admin on Sat Dec 16 08:23:21 UTC 2023
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PRIMARY | |||
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8PL9CEZ8WK
Created by
admin on Sat Dec 16 08:23:21 UTC 2023 , Edited by admin on Sat Dec 16 08:23:21 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
METABOLIC ENZYME -> INHIBITOR |
Lapatinib is a mechanism-based inactivator of CYP3A4, most likely via the formation and further oxidation of its O-dealkylated metabolite to a quinoneimine that covalently modifies the CYP3A4 apoprotein and/or heme moiety
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE TOXIC |
Specifically, the structure of O-dealkylated lapatinib has the potential to generate a reactive quinoneimine similar to the model hepatotoxin acetaminophen. lapatinib is a mechanism-based inactivator of CYP3A4, most likely via the formation and further oxidation of its O-dealkylated metabolite to a quinoneimine that covalently modifies the CYP3A4 apoprotein and/or heme moiety.
MAJOR
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