Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H29N9O3.2ClH |
| Molecular Weight | 588.489 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.NCCCC[C@H](N)C(=O)NC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4NCCC#N
InChI
InChIKey=AOKATNWVGVIXOQ-TXEPZDRESA-N
InChI=1S/C26H29N9O3.2ClH/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28;;/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37);2*1H/t19-;;/m0../s1
| Molecular Formula | C26H29N9O3 |
| Molecular Weight | 515.567 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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 11:28:27 UTC 2023
by
admin
on
Sat Dec 16 11:28:27 UTC 2023
|
| Record UNII |
5BQ16RIM5D
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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45259013
Created by
admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023
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PRIMARY | |||
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1387574-54-0
Created by
admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023
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300000013059
Created by
admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023
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PRIMARY | |||
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5BQ16RIM5D
Created by
admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |