Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H22N2O.C4H6O4 |
| Molecular Weight | 388.4574 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CN(C)CCO[C@@](C)(C1=CC=CC=C1)C2=NC=CC=C2
InChI
InChIKey=KBAUFVUYFNWQFM-LMOVPXPDSA-N
InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t17-;/m0./s1
| Molecular Formula | C17H22N2O |
| Molecular Weight | 270.3694 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:41:13 GMT 2025
by
admin
on
Mon Mar 31 23:41:13 GMT 2025
|
| Record UNII |
V2W8Y491IV
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English |
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V2W8Y491IV
Created by
admin on Mon Mar 31 23:41:13 GMT 2025 , Edited by admin on Mon Mar 31 23:41:13 GMT 2025
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57469151
Created by
admin on Mon Mar 31 23:41:13 GMT 2025 , Edited by admin on Mon Mar 31 23:41:13 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |