Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H21NO4.BrH |
Molecular Weight | 384.265 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI
InChIKey=WTGQALLALWYDJH-MOUKNHLCSA-N
InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1
Molecular Formula | C17H21NO4 |
Molecular Weight | 303.3529 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 6 / 6 |
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
Fri Dec 15 19:48:09 UTC 2023
by
admin
on
Fri Dec 15 19:48:09 UTC 2023
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Record UNII |
R3K67DRL3J
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Record Status |
Validated (UNII)
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Record Version |
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-
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61806
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204-050-6
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R3K67DRL3J
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114-49-8
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DTXSID0032029
Created by
admin on Fri Dec 15 19:48:09 UTC 2023 , Edited by admin on Fri Dec 15 19:48:09 UTC 2023
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SOLVATE->ANHYDROUS | |||
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |