Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H18N2O4S.C14H15N |
Molecular Weight | 531.666 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C(NCC1=CC=CC=C1)C2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)CC5=CC=CC=C5)C(O)=O
InChI
InChIKey=UPYLDHVPOPTZGP-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C14H15N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15H,11-12H2/t11-,12+,14-;/m1./s1
Molecular Formula | C16H18N2O4S |
Molecular Weight | 334.39 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C14H15N |
Molecular Weight | 197.2756 |
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
Fri Dec 15 15:00:24 UTC 2023
by
admin
on
Fri Dec 15 15:00:24 UTC 2023
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Record UNII |
AF5F3C86Z1
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Record Status |
Validated (UNII)
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Record Version |
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-
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7173-27-5
Created by
admin on Fri Dec 15 15:00:24 UTC 2023 , Edited by admin on Fri Dec 15 15:00:24 UTC 2023
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AF5F3C86Z1
Created by
admin on Fri Dec 15 15:00:24 UTC 2023 , Edited by admin on Fri Dec 15 15:00:24 UTC 2023
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197868
Created by
admin on Fri Dec 15 15:00:24 UTC 2023 , Edited by admin on Fri Dec 15 15:00:24 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |