Details
Stereochemistry | RACEMIC |
Molecular Formula | C13H21N5O4.C10H11ClO3 |
Molecular Weight | 525.982 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(OC1=CC=C(Cl)C=C1)C(O)=O.CN(CCO)CC(O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C
InChI
InChIKey=WQRIIYUJYVGZJW-UHFFFAOYSA-N
InChI=1S/C13H21N5O4.C10H11ClO3/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h8-9,19-20H,4-7H2,1-3H3;3-6H,1-2H3,(H,12,13)
Molecular Formula | C13H21N5O4 |
Molecular Weight | 311.3369 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C10H11ClO3 |
Molecular Weight | 214.646 |
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 18:20:10 GMT 2023
by
admin
on
Fri Dec 15 18:20:10 GMT 2023
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Record UNII |
9FEN3M88VP
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C98150
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admin on Fri Dec 15 18:20:10 GMT 2023 , Edited by admin on Fri Dec 15 18:20:10 GMT 2023
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36921-54-7
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SUB00096MIG
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3084643
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C66659
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9FEN3M88VP
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DTXSID00958118
Created by
admin on Fri Dec 15 18:20:10 GMT 2023 , Edited by admin on Fri Dec 15 18:20:10 GMT 2023
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3522
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100000079331
Created by
admin on Fri Dec 15 18:20:10 GMT 2023 , Edited by admin on Fri Dec 15 18:20:10 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |