Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H25NO2.C6H8O7 |
| Molecular Weight | 455.4987 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CC[C@@H](C(=O)OCCN(CC)CC)C1=CC=CC=C1
InChI
InChIKey=VVNURWKSPYZZCI-XFULWGLBSA-N
InChI=1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-;/m1./s1
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.3752 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:22:48 GMT 2025
by
admin
on
Mon Mar 31 23:22:48 GMT 2025
|
| Record UNII |
S17ZM15382
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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76970827
Created by
admin on Mon Mar 31 23:22:48 GMT 2025 , Edited by admin on Mon Mar 31 23:22:48 GMT 2025
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PRIMARY | |||
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S17ZM15382
Created by
admin on Mon Mar 31 23:22:48 GMT 2025 , Edited by admin on Mon Mar 31 23:22:48 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |