Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21N2O3.ClO4 |
| Molecular Weight | 448.854 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-]Cl(=O)(=O)=O.COC(=O)C1=CO[C@@H](C)[C@H]2C[N+]3=CC=C4C5=CC=CC=C5NC4=C3C[C@H]12
InChI
InChIKey=PTOSFPIAJZFESV-RXAPEJBRSA-N
InChI=1S/C21H20N2O3.ClHO4/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;2-1(3,4)5/h3-8,11-12,15-16H,9-10H2,1-2H3;(H,2,3,4,5)/t12-,15-,16+;/m0./s1
| Molecular Formula | C21H20N2O3 |
| Molecular Weight | 348.3951 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClHO4 |
| Molecular Weight | 100.459 |
| 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
Wed Apr 02 13:40:12 GMT 2025
by
admin
on
Wed Apr 02 13:40:12 GMT 2025
|
| Record UNII |
50402RV849
|
| Record Status |
Validated (UNII)
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| Record Version |
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11046-86-9
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90478853
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m9873
Created by
admin on Wed Apr 02 13:40:12 GMT 2025 , Edited by admin on Wed Apr 02 13:40:12 GMT 2025
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PRIMARY | Merck Index | ||
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50402RV849
Created by
admin on Wed Apr 02 13:40:12 GMT 2025 , Edited by admin on Wed Apr 02 13:40:12 GMT 2025
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PRIMARY |