Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H21N5O4.C6H5NO2 |
Molecular Weight | 434.4463 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CN=CC=C1.CN(CCO)C[C@H](O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C
InChI
InChIKey=GEPMAHVDJHFBJI-FVGYRXGTSA-N
InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)/t9-;/m0./s1
Molecular Formula | C6H5NO2 |
Molecular Weight | 123.1094 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H21N5O4 |
Molecular Weight | 311.3369 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:26:44 GMT 2023
by
admin
on
Sat Dec 16 10:26:44 GMT 2023
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Record UNII |
5BW6T3CFFK
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Record Status |
Validated (UNII)
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Record Version |
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-
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5BW6T3CFFK
Created by
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24867449
Created by
admin on Sat Dec 16 10:26:44 GMT 2023 , Edited by admin on Sat Dec 16 10:26:44 GMT 2023
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RACEMATE -> ENANTIOMER |