Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21ClN2.C4H7NO3 |
| Molecular Weight | 417.929 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)NCC(O)=O.CN(C)CC[C@H]1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2
InChI
InChIKey=OSAUSAZZRQEEES-LMOVPXPDSA-N
InChI=1S/C18H21ClN2.C4H7NO3/c1-21(2)11-9-17-16-8-7-15(19)12-14(16)6-5-13-4-3-10-20-18(13)17;1-3(6)5-2-4(7)8/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3;2H2,1H3,(H,5,6)(H,7,8)/t17-;/m0./s1
| Molecular Formula | C18H21ClN2 |
| Molecular Weight | 300.826 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H7NO3 |
| Molecular Weight | 117.1033 |
| 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 23:31:11 GMT 2025
by
admin
on
Mon Mar 31 23:31:11 GMT 2025
|
| Record UNII |
MH3O6VA8JW
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
MH3O6VA8JW
Created by
admin on Mon Mar 31 23:31:11 GMT 2025 , Edited by admin on Mon Mar 31 23:31:11 GMT 2025
|
PRIMARY | |||
|
76957595
Created by
admin on Mon Mar 31 23:31:11 GMT 2025 , Edited by admin on Mon Mar 31 23:31:11 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
RACEMATE -> ENANTIOMER |