Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H29ClN6O5 |
| Molecular Weight | 553.009 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCC1=NC(Cl)=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4)C(=O)O[C@@H](C)OC(=O)OCC
InChI
InChIKey=IDAWWPOAHPVPMY-QGZVFWFLSA-N
InChI=1S/C27H29ClN6O5/c1-4-6-11-22-29-24(28)23(26(35)38-17(3)39-27(36)37-5-2)34(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-30-32-33-31-25/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,30,31,32,33)/t17-/m1/s1
| Molecular Formula | C27H29ClN6O5 |
| Molecular Weight | 553.009 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:22:59 GMT 2025
by
admin
on
Mon Mar 31 23:22:59 GMT 2025
|
| Record UNII |
R4A1106L86
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Common Name | English |
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R4A1106L86
Created by
admin on Mon Mar 31 23:22:59 GMT 2025 , Edited by admin on Mon Mar 31 23:22:59 GMT 2025
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PRIMARY | |||
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66701870
Created by
admin on Mon Mar 31 23:22:59 GMT 2025 , Edited by admin on Mon Mar 31 23:22:59 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |