Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H20FNO3.CH4O3S |
Molecular Weight | 425.471 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.FC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC=C4OCOC4=C3
InChI
InChIKey=SHIJTGJXUHTGGZ-RVXRQPKJSA-N
InChI=1S/C19H20FNO3.CH4O3S/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-5(2,3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3,(H,2,3,4)/t14-,17-;/m0./s1
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 | C19H20FNO3 |
Molecular Weight | 329.3654 |
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
Fri Dec 15 16:35:10 UTC 2023
by
admin
on
Fri Dec 15 16:35:10 UTC 2023
|
Record UNII |
M711N184JE
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C265
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
||
|
NCI_THESAURUS |
C94725
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
DTXSID10944385
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
PP-69
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
M711N184JE
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
217797-14-3
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
M711N184JE
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
9845306
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
100000091353
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
SUB21744
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
m8418
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | Merck Index | ||
|
436212
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | RxNorm | ||
|
DBSALT000133
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
C47653
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY | |||
|
CHEMBL490
Created by
admin on Fri Dec 15 16:35:10 UTC 2023 , Edited by admin on Fri Dec 15 16:35:10 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
---|---|---|---|---|---|---|
Tmax | PHARMACOKINETIC |
|
EFFECT OF FOOD |
|
||
Biological Half-life | PHARMACOKINETIC |
|
|
|||
PROTEIN BINDING | PHARMACOKINETIC |
|
|
|||
Route of Elimination | PHARMACOKINETIC |
|
EXCRETED UNCHANGED |
|
||
MAXIMUM TOLERATED DOSE | TOXICITY |
|
PANIC DISORDER: 60 mg/day |
|
||
Route of Elimination | PHARMACOKINETIC |
|
EXCRETED UNCHANGED |
|
||