Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H12FN3.C4H6O6 |
| Molecular Weight | 391.3504 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.N[C@H](C1=CC=CC(=C1)C#N)C2=CC=C(F)C(N)=C2
InChI
InChIKey=LSZBWWYWZWMLOI-FYEOGULHSA-N
InChI=1S/C14H12FN3.C4H6O6/c15-12-5-4-11(7-13(12)17)14(18)10-3-1-2-9(6-10)8-16;5-1(3(7)8)2(6)4(9)10/h1-7,14H,17-18H2;1-2,5-6H,(H,7,8)(H,9,10)/t14-;1-,2-/m10/s1
| Molecular Formula | C14H12FN3 |
| Molecular Weight | 241.2636 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| 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
Wed Apr 02 20:40:56 GMT 2025
by
admin
on
Wed Apr 02 20:40:56 GMT 2025
|
| Record UNII |
U44ZWX2DPY
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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U44ZWX2DPY
Created by
admin on Wed Apr 02 20:40:56 GMT 2025 , Edited by admin on Wed Apr 02 20:40:56 GMT 2025
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PRIMARY | |||
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2093200-65-6
Created by
admin on Wed Apr 02 20:40:56 GMT 2025 , Edited by admin on Wed Apr 02 20:40:56 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 3-[(R)-Amino(3-amino-4-fluorophenyl)methyl]benzonitrile](/img/714e7749-7fc1-49df-89d4-0d33bd7f26c2.svg "Structure of 3-[(R)-Amino(3-amino-4-fluorophenyl)methyl]benzonitrile")