Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H18N2O4S.C13H20N2O2 |
Molecular Weight | 570.7 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C(O)=O
InChI
InChIKey=WHRVRSCEWKLAHX-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C13H20N2O2/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;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/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 | C13H20N2O2 |
Molecular Weight | 236.3101 |
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 05:45:29 UTC 2023
by
admin
on
Sat Dec 16 05:45:29 UTC 2023
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Record UNII |
1LW5K9CIR1
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Record Status |
Validated (UNII)
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Record Version |
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-
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200-205-7
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54-35-3
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DB09320
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5903
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DTXSID30883227
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100000085002
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1LW5K9CIR1
Created by
admin on Sat Dec 16 05:45:29 UTC 2023 , Edited by admin on Sat Dec 16 05:45:29 UTC 2023
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Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |