Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H20FN5O4.CH4O3S |
Molecular Weight | 485.487 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CO\N=C1/CN(CC1CN)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=N2)C(O)=O
InChI
InChIKey=JIYMVSQRGZEYAX-CWUUNJJBSA-N
InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H20FN5O4 |
Molecular Weight | 389.3809 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:41:17 UTC 2023
by
admin
on
Fri Dec 15 15:41:17 UTC 2023
|
Record UNII |
X4S9F8RL01
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C795
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
X4S9F8RL01
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
m5693
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | Merck Index | ||
|
SUB21851
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
9588170
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
DBSALT002832
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
1288667
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
402429
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | RxNorm | ||
|
KK-82
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
100000090463
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
X4S9F8RL01
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
CHEMBL430
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
DTXSID7045948
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
210353-53-0
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY | |||
|
C47548
Created by
admin on Fri Dec 15 15:41:17 UTC 2023 , Edited by admin on Fri Dec 15 15:41:17 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ENANTIOMER -> RACEMATE | |||
|
PARENT -> SALT/SOLVATE | |||
|
ENANTIOMER -> RACEMATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |