Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H26N6O3.C4H4O4 |
| Molecular Weight | 598.6059 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CCOC(=O)CCN(C(=O)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C#N)=NC2=C1)C4=CC=CC=N4
InChI
InChIKey=WIAUQKAIELDIJJ-WLHGVMLRSA-N
InChI=1S/C27H26N6O3.C4H4O4/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21;5-3(6)1-2-4(7)8/h4-12,14,16,30H,3,13,15,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C27H26N6O3 |
| Molecular Weight | 482.5337 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:38:03 GMT 2023
by
admin
on
Sat Dec 16 18:38:03 GMT 2023
|
| Record UNII |
4CMJ5PF9AD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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72192335
Created by
admin on Sat Dec 16 18:38:03 GMT 2023 , Edited by admin on Sat Dec 16 18:38:03 GMT 2023
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PRIMARY | |||
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4CMJ5PF9AD
Created by
admin on Sat Dec 16 18:38:03 GMT 2023 , Edited by admin on Sat Dec 16 18:38:03 GMT 2023
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1428362-10-0
Created by
admin on Sat Dec 16 18:38:03 GMT 2023 , Edited by admin on Sat Dec 16 18:38:03 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of Ethyl 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionate](/img/2d5a2f08-f7ce-4508-adbd-0b81658c8486.svg "Structure of Ethyl 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionate")