Details
| Stereochemistry | MIXED |
| Molecular Formula | C16H23N4O3.Br |
| Molecular Weight | 399.283 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].COC1=CC=C(OC)C(=C1)C(=O)C[N+]23CN4CN(CN(C4)C2)C3
InChI
InChIKey=WROCMTPVAGQMOF-UHFFFAOYSA-M
InChI=1S/C16H23N4O3.BrH/c1-22-13-3-4-16(23-2)14(5-13)15(21)6-20-10-17-7-18(11-20)9-19(8-17)12-20;/h3-5H,6-12H2,1-2H3;1H/q+1;/p-1
| Molecular Formula | Br |
| Molecular Weight | 79.904 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H23N4O3 |
| Molecular Weight | 319.3788 |
| Charge | 1 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:56:36 GMT 2025
by
admin
on
Wed Apr 02 20:56:36 GMT 2025
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| Record UNII |
M535292JA5
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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902756-18-7
Created by
admin on Wed Apr 02 20:56:36 GMT 2025 , Edited by admin on Wed Apr 02 20:56:36 GMT 2025
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PRIMARY | |||
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M535292JA5
Created by
admin on Wed Apr 02 20:56:36 GMT 2025 , Edited by admin on Wed Apr 02 20:56:36 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 1-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<SUP>3,7</SUP>]decane](/img/728f2560-6d2b-49a7-8e7e-571ddf7981cf.svg "Structure of 1-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<SUP>3,7</SUP>]decane")