Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C30H35N5O3 |
| Molecular Weight | 513.6306 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H]([C@H](C)OCC1=CC=CC=C1)N2N=CN(C2=O)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(O)C=C5
InChI
InChIKey=QLRPRKJUMRQTOV-MUAVYFROSA-N
InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29+/m0/s1
| Molecular Formula | C30H35N5O3 |
| Molecular Weight | 513.6306 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:56:35 GMT 2023
by
admin
on
Sat Dec 16 19:56:35 GMT 2023
|
| Record UNII |
CLK4CGR37E
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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2125944-53-6
Created by
admin on Sat Dec 16 19:56:35 GMT 2023 , Edited by admin on Sat Dec 16 19:56:35 GMT 2023
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PRIMARY | |||
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CLK4CGR37E
Created by
admin on Sat Dec 16 19:56:35 GMT 2023 , Edited by admin on Sat Dec 16 19:56:35 GMT 2023
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PRIMARY | |||
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78577436
Created by
admin on Sat Dec 16 19:56:35 GMT 2023 , Edited by admin on Sat Dec 16 19:56:35 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE |
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ENANTIOMER -> RACEMATE |
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![Structure of 2-[(1S,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one](/img/599bf95a-a82d-4f77-b10e-757151817570.svg "Structure of 2-[(1S,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one")
![Structure of 2-[(1R,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one](/img/f7c52e8a-1fca-4985-9f43-bf4b82cd35d2.svg "Structure of 2-[(1R,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one")