Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H18N2O2.C6H8O7.H2O |
| Molecular Weight | 432.4223 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC(=O)C1=CN=CC=C1
InChI
InChIKey=LAUXCPIFUCLQKH-UHFFFAOYSA-N
InChI=1S/C12H18N2O2.C6H8O7.H2O/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
Mon Mar 31 22:41:28 GMT 2025
by
admin
on
Mon Mar 31 22:41:28 GMT 2025
|
| Record UNII |
3L7H8UY4GW
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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3L7H8UY4GW
Created by
admin on Mon Mar 31 22:41:28 GMT 2025 , Edited by admin on Mon Mar 31 22:41:28 GMT 2025
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PRIMARY | |||
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24868288
Created by
admin on Mon Mar 31 22:41:28 GMT 2025 , Edited by admin on Mon Mar 31 22:41:28 GMT 2025
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PRIMARY | |||
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m841
Created by
admin on Mon Mar 31 22:41:28 GMT 2025 , Edited by admin on Mon Mar 31 22:41:28 GMT 2025
|
PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
