Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16ClNO2.BrH |
| Molecular Weight | 370.669 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.OC1=C(O)C(Cl)=C2CCNC[C@H](C3=CC=CC=C3)C2=C1
InChI
InChIKey=RMIJGBMRNYUZRG-BTQNPOSSSA-N
InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H/t13-;/m1./s1
| Molecular Formula | C16H16ClNO2 |
| Molecular Weight | 289.757 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| 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 17:41:05 UTC 2023
by
admin
on
Sat Dec 16 17:41:05 UTC 2023
|
| Record UNII |
J494DH8JRC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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253446-15-0
Created by
admin on Sat Dec 16 17:41:05 UTC 2023 , Edited by admin on Sat Dec 16 17:41:05 UTC 2023
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PRIMARY | |||
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SKF-81,297
Created by
admin on Sat Dec 16 17:41:05 UTC 2023 , Edited by admin on Sat Dec 16 17:41:05 UTC 2023
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DTXSID3058743
Created by
admin on Sat Dec 16 17:41:05 UTC 2023 , Edited by admin on Sat Dec 16 17:41:05 UTC 2023
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PRIMARY | |||
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J494DH8JRC
Created by
admin on Sat Dec 16 17:41:05 UTC 2023 , Edited by admin on Sat Dec 16 17:41:05 UTC 2023
|
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16219952
Created by
admin on Sat Dec 16 17:41:05 UTC 2023 , Edited by admin on Sat Dec 16 17:41:05 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> AGONIST | |||
|
PARENT -> SALT/SOLVATE |
|
||
|
TARGET -> AGONIST | |||
|
RACEMATE -> ENANTIOMER |
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