Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H18O2.C6H14N2O2.H2O |
Molecular Weight | 370.4837 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.NCCCC[C@H](N)C(O)=O.CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O
InChI
InChIKey=ZLGIZCLYTDPXEP-LQDNOSPQSA-N
InChI=1S/C13H18O2.C6H14N2O2.H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10;/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10);1H2/t10-;5-;/m00./s1
Molecular Formula | C13H18O2 |
Molecular Weight | 206.2808 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C6H14N2O2 |
Molecular Weight | 146.1876 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
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
Fri Dec 15 15:40:33 UTC 2023
by
admin
on
Fri Dec 15 15:40:33 UTC 2023
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Record UNII |
T179MT9211
|
Record Status |
Validated (UNII)
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Record Version |
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-
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141505-32-0
Created by
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m6189
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admin on Fri Dec 15 15:40:33 UTC 2023 , Edited by admin on Fri Dec 15 15:40:33 UTC 2023
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DTXSID60931109
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11954362
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AA-56
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T179MT9211
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C169895
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300000021796
Created by
admin on Fri Dec 15 15:40:33 UTC 2023 , Edited by admin on Fri Dec 15 15:40:33 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |