Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H23ClFN5O2.2C7H8O3S |
| Molecular Weight | 788.305 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.CCOC3=CC4=C(C=C3NC(=O)\C=C\CN(C)C)C(NC5=CC(Cl)=C(F)C=C5)=NC=N4
InChI
InChIKey=MCEGMGYYDQRIMH-TXOOBNKBSA-N
InChI=1S/C22H23ClFN5O2.2C7H8O3S/c1-4-31-20-12-18-15(11-19(20)28-21(30)6-5-9-29(2)3)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-8,10-13H,4,9H2,1-3H3,(H,28,30)(H,25,26,27);2*2-5H,1H3,(H,8,9,10)/b6-5+;;
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C22H23ClFN5O2 |
| Molecular Weight | 443.902 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:06:16 UTC 2023
by
admin
on
Sat Dec 16 14:06:16 UTC 2023
|
| Record UNII |
TA6UHD60QT
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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2085843-54-3
Created by
admin on Sat Dec 16 14:06:16 UTC 2023 , Edited by admin on Sat Dec 16 14:06:16 UTC 2023
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PRIMARY | |||
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1957132-03-4
Created by
admin on Sat Dec 16 14:06:16 UTC 2023 , Edited by admin on Sat Dec 16 14:06:16 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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132164922
Created by
admin on Sat Dec 16 14:06:16 UTC 2023 , Edited by admin on Sat Dec 16 14:06:16 UTC 2023
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PRIMARY | |||
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TA6UHD60QT
Created by
admin on Sat Dec 16 14:06:16 UTC 2023 , Edited by admin on Sat Dec 16 14:06:16 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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