Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H20N2.2C16H19N3O4S |
Molecular Weight | 939.153 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)[C@H](N)C5=CC=CC=C5)C(O)=O.[H][C@]67SC(C)(C)[C@@H](N6C(=O)[C@H]7NC(=O)[C@H](N)C8=CC=CC=C8)C(O)=O
InChI
InChIKey=RHKWJSNGCNASTF-PHGYPNQBSA-N
InChI=1S/2C16H19N3O4S.C16H20N2/c2*1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-10,17-18H,11-14H2/t2*9-,10-,11+,14-;/m11./s1
Molecular Formula | C16H19N3O4S |
Molecular Weight | 349.405 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C16H20N2 |
Molecular Weight | 240.3434 |
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 17:09:18 UTC 2023
by
admin
on
Fri Dec 15 17:09:18 UTC 2023
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Record UNII |
E1TD7AM884
|
Record Status |
Validated (UNII)
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Record Version |
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-
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SUB00506MIG
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E1TD7AM884
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33276-75-4
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94447
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51343
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251-438-6
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100000085161
Created by
admin on Fri Dec 15 17:09:18 UTC 2023 , Edited by admin on Fri Dec 15 17:09:18 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |