Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H24Cl2N6O4.C4H6O4 |
Molecular Weight | 673.501 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.COC1=NC(OC)=C(C=N1)C2=NC3=C([C@@H](N(C3=O)C4=CC(Cl)=CN(C)C4=O)C5=CC=C(Cl)C=C5)N2C(C)C
InChI
InChIKey=WOEIHDWLQDGIAG-BDQAORGHSA-N
InChI=1S/C26H24Cl2N6O4.C4H6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14;5-3(6)1-2-4(7)8/h6-13,20H,1-5H3;1-2H2,(H,5,6)(H,7,8)/t20-;/m0./s1
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C26H24Cl2N6O4 |
Molecular Weight | 555.413 |
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 09:08:33 UTC 2023
by
admin
on
Sat Dec 16 09:08:33 UTC 2023
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Record UNII |
0XPX99P4ZT
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Record Status |
Validated (UNII)
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Record Version |
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-
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0XPX99P4ZT
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C189975
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KL-120
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100000183622
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71678608
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1638193-48-2
Created by
admin on Sat Dec 16 09:08:33 UTC 2023 , Edited by admin on Sat Dec 16 09:08:33 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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