Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H26N6O3 |
| Molecular Weight | 482.5337 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC(=O)CCN(C(=O)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C#N)=NC2=C1)C4=NC=CC=C4
InChI
InChIKey=OZBOESGNDSVMDK-UHFFFAOYSA-N
InChI=1S/C27H26N6O3/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/h4-12,14,16,30H,3,13,15,18H2,1-2H3
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 14:03:21 GMT 2025
by
admin
on
Wed Apr 02 14:03:21 GMT 2025
|
| Record UNII |
B24J67PN4T
|
| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID90469667
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11627749
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B24J67PN4T
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211915-84-3
Created by
admin on Wed Apr 02 14:03:21 GMT 2025 , Edited by admin on Wed Apr 02 14:03:21 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of Ethyl 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionate hemifumarate](/img/6ad96581-7bfa-4d69-a582-fc85292a7e55.svg "Structure of Ethyl 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionate hemifumarate")