Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H14F3N3O2S.C16H25NO2.ClH |
| Molecular Weight | 681.208 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=CC=CC(=C1)[C@@]2(O)CCCC[C@@H]2CN(C)C.CC3=CC=C(C=C3)C4=CC(=NN4C5=CC=C(C=C5)S(N)(=O)=O)C(F)(F)F
InChI
InChIKey=HHXIXLAPQNFPGR-AAAYOKPCSA-N
InChI=1S/C17H14F3N3O2S.C16H25NO2.ClH/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h2-10H,1H3,(H2,21,24,25);6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t;14-,16+;/m.1./s1
| Molecular Formula | C17H14F3N3O2S |
| Molecular Weight | 381.372 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.3752 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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 12:26:51 GMT 2023
by
admin
on
Sat Dec 16 12:26:51 GMT 2023
|
| Record UNII |
80FJ28572U
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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300000041459
Created by
admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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PRIMARY | |||
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1221565-82-7
Created by
admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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PRIMARY | |||
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80FJ28572U
Created by
admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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PRIMARY | |||
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51050002
Created by
admin on Sat Dec 16 12:26:51 GMT 2023 , Edited by admin on Sat Dec 16 12:26:51 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |