Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H22N6O.C4H4O4 |
Molecular Weight | 490.5111 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N
InChI
InChIKey=VJCVKWFBWAVYOC-UIXXXISESA-N
InChI=1S/C21H22N6O.C4H4O4/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20;5-3(6)1-2-4(7)8/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,19-;/m1./s1
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C21H22N6O |
Molecular Weight | 374.439 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:14:14 UTC 2023
by
admin
on
Sat Dec 16 14:14:14 UTC 2023
|
Record UNII |
TH2EV99S4Z
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
EU-Orphan Drug |
EU/3/17/1923
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
DTXSID301027747
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
145428
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
2105844
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
122640033
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
100000177195
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
TH2EV99S4Z
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
2030410-25-2
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY | |||
|
C156894
Created by
admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |