Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H27N.C6H8O7 |
Molecular Weight | 437.5265 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CC[C@@H](C1CCCCC1)C2=CC=CC=C2
InChI
InChIKey=SGKRLANBLXKJAB-UNTBIKODSA-N
InChI=1S/C17H27N.C6H8O7/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t17-;/m1./s1
Molecular Formula | C17H27N |
Molecular Weight | 245.403 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C6H8O7 |
Molecular Weight | 192.1235 |
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 11:02:55 GMT 2023
by
admin
on
Sat Dec 16 11:02:55 GMT 2023
|
Record UNII |
4123N664HU
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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Code System | Code | Type | Description | ||
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4123N664HU
Created by
admin on Sat Dec 16 11:02:55 GMT 2023 , Edited by admin on Sat Dec 16 11:02:55 GMT 2023
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126480239
Created by
admin on Sat Dec 16 11:02:55 GMT 2023 , Edited by admin on Sat Dec 16 11:02:55 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |