Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H23NO5.C4H6O6.H2O |
Molecular Weight | 525.5024 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.COC1=C(OC)C(OC)=C2C(CC[C@H](N)C3=CC(=O)C(OC)=CC=C23)=C1
InChI
InChIKey=OBMKOHRHLIBDCR-NASHDYMQSA-N
InChI=1S/C20H23NO5.C4H6O6.H2O/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12;5-1(3(7)8)2(6)4(9)10;/h6,8-10,14H,5,7,21H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);1H2/t14-;1-,2-;/m01./s1
Molecular Formula | C20H23NO5 |
Molecular Weight | 357.4003 |
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 |
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 15:22:33 GMT 2023
by
admin
on
Fri Dec 15 15:22:33 GMT 2023
|
Record UNII |
1MSQ9O0VPM
|
Record Status |
Validated (UNII)
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Record Version |
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-
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23255-02-9
Created by
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PRIMARY | |||
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1MSQ9O0VPM
Created by
admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023
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123133511
Created by
admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023
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566519
Created by
admin on Fri Dec 15 15:22:33 GMT 2023 , Edited by admin on Fri Dec 15 15:22:33 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |