Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H16O6.C18H21ClN2 |
Molecular Weight | 689.195 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCN(CC1)[C@H](C2=CC=CC=C2)C3=CC=C(Cl)C=C3.OC(=O)C4=CC5=C(C=CC=C5)C(CC6=C7C=CC=CC7=CC(C(O)=O)=C6O)=C4O
InChI
InChIKey=WUJMCJWDNKVBOU-GRCRRGHYSA-N
InChI=1S/C23H16O6.C18H21ClN2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-10,18H,11-14H2,1H3/t;18-/m.1/s1
Molecular Formula | C18H21ClN2 |
Molecular Weight | 300.826 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3695 |
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 02:17:40 UTC 2023
by
admin
on
Sat Dec 16 02:17:40 UTC 2023
|
Record UNII |
7K995L77O1
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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7K995L77O1
Created by
admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
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76967292
Created by
admin on Sat Dec 16 02:17:40 UTC 2023 , Edited by admin on Sat Dec 16 02:17:40 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |