Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H18ClNO2.C4H6O6 |
Molecular Weight | 393.817 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)(C)NC[C@H](O)C1=CC=C(O)C=C1Cl
InChI
InChIKey=VVIVBRYHTLRZGY-MBANBULQSA-N
InChI=1S/C12H18ClNO2.C4H6O6/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13;5-1(3(7)8)2(6)4(9)10/h4-6,11,14-16H,7H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1
Molecular Formula | C12H18ClNO2 |
Molecular Weight | 243.73 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:11:11 UTC 2023
by
admin
on
Sat Dec 16 05:11:11 UTC 2023
|
Record UNII |
6P0KL436YB
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID00159002
Created by
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636384
Created by
admin on Sat Dec 16 05:11:11 UTC 2023 , Edited by admin on Sat Dec 16 05:11:11 UTC 2023
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6P0KL436YB
Created by
admin on Sat Dec 16 05:11:11 UTC 2023 , Edited by admin on Sat Dec 16 05:11:11 UTC 2023
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134865-37-5
Created by
admin on Sat Dec 16 05:11:11 UTC 2023 , Edited by admin on Sat Dec 16 05:11:11 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |