Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H25NO2.C4H6O4.H2O |
Molecular Weight | 399.4785 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)CCC(O)=O.CN(C)CC(C1=CC=C(O)C=C1)C2(O)CCCCC2
InChI
InChIKey=PWPDEXVGKDEKTE-UHFFFAOYSA-N
InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2
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 |
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H25NO2 |
Molecular Weight | 263.3752 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:25:49 UTC 2023
by
admin
on
Fri Dec 15 15:25:49 UTC 2023
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Record UNII |
ZB22ENF0XR
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 15:25:49 UTC 2023 , Edited by admin on Fri Dec 15 15:25:49 UTC 2023
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Code System | Code | Type | Description | ||
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1175773
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CHEMBL1118
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DTXSID70959511
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C61704
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100000135810
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DBSALT000045
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386750-22-7
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683693
Created by
admin on Fri Dec 15 15:25:49 UTC 2023 , Edited by admin on Fri Dec 15 15:25:49 UTC 2023
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SUB72084
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6918664
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SUB27750
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ZB22ENF0XR
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ZB22ENF0XR
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OO-67
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m4207
Created by
admin on Fri Dec 15 15:25:49 UTC 2023 , Edited by admin on Fri Dec 15 15:25:49 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |