Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C11H15NO.C7H7ClN4O2 |
| Molecular Weight | 391.852 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1NCCO[C@H]1C2=CC=CC=C2.CN3C4=C(NC(Cl)=N4)C(=O)N(C)C3=O
InChI
InChIKey=HBSCPBXJXNOCOA-QLSWKGBWSA-N
InChI=1S/C11H15NO.C7H7ClN4O2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-6,9,11-12H,7-8H2,1H3;1-2H3,(H,9,10)/t9-,11+;/m0./s1
| Molecular Formula | C7H7ClN4O2 |
| Molecular Weight | 214.609 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| 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
Mon Mar 31 21:51:21 GMT 2025
by
admin
on
Mon Mar 31 21:51:21 GMT 2025
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| Record UNII |
DEY0OXH13V
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| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID60930435
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