Details
| Stereochemistry | UNKNOWN |
| Molecular Formula | C27H32ClFN6O4S |
| Molecular Weight | 591.097 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(NC(=O)CC(CN2CCCCC2)SC[C@H](N)C(O)=O)C=C3C(NC4=CC=C(F)C(Cl)=C4)=NC=NC3=C1
InChI
InChIKey=JACXJKYDLZNKQS-LFABVHOISA-N
InChI=1S/C27H32ClFN6O4S/c1-39-24-12-22-18(26(32-15-31-22)33-16-5-6-20(29)19(28)9-16)11-23(24)34-25(36)10-17(40-14-21(30)27(37)38)13-35-7-3-2-4-8-35/h5-6,9,11-12,15,17,21H,2-4,7-8,10,13-14,30H2,1H3,(H,34,36)(H,37,38)(H,31,32,33)/t17?,21-/m0/s1
| Molecular Formula | C27H32ClFN6O4S |
| Molecular Weight | 591.097 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:04:27 GMT 2023
by
admin
on
Sat Dec 16 10:04:27 GMT 2023
|
| Record UNII |
SOA52D3NLL
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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SOA52D3NLL
Created by
admin on Sat Dec 16 10:04:27 GMT 2023 , Edited by admin on Sat Dec 16 10:04:27 GMT 2023
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1262034-38-7
Created by
admin on Sat Dec 16 10:04:27 GMT 2023 , Edited by admin on Sat Dec 16 10:04:27 GMT 2023
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119058027
Created by
admin on Sat Dec 16 10:04:27 GMT 2023 , Edited by admin on Sat Dec 16 10:04:27 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
In addition, it is likely that dacomitinib
underwent glutathione conjugation with subsequent
hydrolysis to form the cysteine conjugate (M2).
MAJOR
FECAL
|
