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-UNTBIKODSA-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-;/m1./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
Sat Dec 16 11:20:12 GMT 2023
by
admin
on
Sat Dec 16 11:20:12 GMT 2023
|
Record UNII |
O48C92J37G
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
O48C92J37G
Created by
admin on Sat Dec 16 11:20:12 GMT 2023 , Edited by admin on Sat Dec 16 11:20:12 GMT 2023
|
PRIMARY | |||
|
76957596
Created by
admin on Sat Dec 16 11:20:12 GMT 2023 , Edited by admin on Sat Dec 16 11:20:12 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
RACEMATE -> ENANTIOMER |