Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H20ClFN2O2.C7H17NO5 |
| Molecular Weight | 642.114 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC\C(=C(\C1=CC=C(\C=C\C(O)=O)C=C1)C2=CC3=C(NN=C3)C=C2)C4=CC=C(F)C=C4Cl
InChI
InChIKey=WHECVDVHIHTISC-NNVWMOTJSA-N
InChI=1S/C26H20ClFN2O2.C7H17NO5/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-15H,2H2,1H3,(H,29,30)(H,31,32);4-13H,2-3H2,1H3/b12-5+,26-21+;/t;4-,5+,6+,7+/m.0/s1
| Molecular Formula | C26H20ClFN2O2 |
| Molecular Weight | 446.901 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
| Molecular Formula | C7H17NO5 |
| Molecular Weight | 195.2136 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:03:17 UTC 2023
by
admin
on
Sat Dec 16 09:03:17 UTC 2023
|
| Record UNII |
17C4BJ408U
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Code | English |
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121488183
Created by
admin on Sat Dec 16 09:03:17 UTC 2023 , Edited by admin on Sat Dec 16 09:03:17 UTC 2023
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1874170-91-8
Created by
admin on Sat Dec 16 09:03:17 UTC 2023 , Edited by admin on Sat Dec 16 09:03:17 UTC 2023
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PRIMARY | |||
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17C4BJ408U
Created by
admin on Sat Dec 16 09:03:17 UTC 2023 , Edited by admin on Sat Dec 16 09:03:17 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |