Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H26N6O4S.CH4O3S |
| Molecular Weight | 602.682 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COC1=CC2=C(C(N)=NC(=N2)N3CCC4=C(C3)C=CC=C4NS(C)(=O)=O)C(C5=CC=CC=N5)=C1OC
InChI
InChIKey=PELLFYXDXSYSSE-UHFFFAOYSA-N
InChI=1S/C25H26N6O4S.CH4O3S/c1-34-20-13-19-22(21(23(20)35-2)18-8-4-5-11-27-18)24(26)29-25(28-19)31-12-10-16-15(14-31)7-6-9-17(16)30-36(3,32)33;1-5(2,3)4/h4-9,11,13,30H,10,12,14H2,1-3H3,(H2,26,28,29);1H3,(H,2,3,4)
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C25H26N6O4S |
| Molecular Weight | 506.577 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Impact of physicochemical and structural properties on the pharmacokinetics of a series of alpha1L-adrenoceptor antagonists. | 2007 Aug |
|
| Investigation of regional mechanisms responsible for poor oral absorption in humans of a modified release preparation of the alpha-adrenoreceptor antagonist, 4-amino-6,7-dimethoxy-2-(5-methanesulfonamido-1,2,3,4 tetrahydroisoquinol-2-yl)-5-(2-pyridyl)quinazoline (UK-338,003): the rational use of ex vivo intestine to predict in vivo absorption. | 2008 Jan |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:54:06 UTC 2023
by
admin
on
Fri Dec 15 15:54:06 UTC 2023
|
| Record UNII |
9YMP2G22X1
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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9YMP2G22X1
Created by
admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023
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358632-25-4
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admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023
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9830194
Created by
admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023
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DTXSID60431391
Created by
admin on Fri Dec 15 15:54:06 UTC 2023 , Edited by admin on Fri Dec 15 15:54:06 UTC 2023
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |