Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H26ClN3.2C9H6INO4S |
| Molecular Weight | 1022.108 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(I)C=C(C2=C1N=CC=C2)S(O)(=O)=O.OC3=C(I)C=C(C4=C3N=CC=C4)S(O)(=O)=O.CCN(CC)CCC[C@@H](C)NC5=CC=NC6=C5C=CC(Cl)=C6
InChI
InChIKey=USABWIQJRBGMKQ-FMOMHUKBSA-N
InChI=1S/C18H26ClN3.2C9H6INO4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)/t14-;;/m1../s1
| Molecular Formula | C18H26ClN3 |
| Molecular Weight | 319.872 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C9H6INO4S |
| Molecular Weight | 351.118 |
| 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
Mon Mar 31 23:20:02 GMT 2025
by
admin
on
Mon Mar 31 23:20:02 GMT 2025
|
| Record UNII |
X9IV5G00FJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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124220645
Created by
admin on Mon Mar 31 23:20:02 GMT 2025 , Edited by admin on Mon Mar 31 23:20:02 GMT 2025
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PRIMARY | |||
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X9IV5G00FJ
Created by
admin on Mon Mar 31 23:20:02 GMT 2025 , Edited by admin on Mon Mar 31 23:20:02 GMT 2025
|
PRIMARY |
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RACEMATE -> ENANTIOMER |
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