Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H20N2.2C16H18N2O4S.H2O |
Molecular Weight | 927.139 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)CC5=CC=CC=C5)C(O)=O.[H][C@]67SC(C)(C)[C@@H](N6C(=O)[C@H]7NC(=O)CC8=CC=CC=C8)C(O)=O
InChI
InChIKey=OODAAHXHBAWPJQ-ZLOILWTKSA-N
InChI=1S/2C16H18N2O4S.C16H20N2.H2O/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;1H2/t2*11-,12+,14-;;/m11../s1
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 |
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 | H2O |
Molecular Weight | 18.0153 |
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 09:26:55 UTC 2023
by
admin
on
Sat Dec 16 09:26:55 UTC 2023
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Record UNII |
C89ZJF1SVE
|
Record Status |
Validated (UNII)
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Record Version |
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-
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5928-83-6
Created by
admin on Sat Dec 16 09:26:55 UTC 2023 , Edited by admin on Sat Dec 16 09:26:55 UTC 2023
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C89ZJF1SVE
Created by
admin on Sat Dec 16 09:26:55 UTC 2023 , Edited by admin on Sat Dec 16 09:26:55 UTC 2023
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22298952
Created by
admin on Sat Dec 16 09:26:55 UTC 2023 , Edited by admin on Sat Dec 16 09:26:55 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |