Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C29H44N8O3.C4H4O4 |
Molecular Weight | 1221.4951 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CCC1=C(NC2CCOCC2)N=C(NC3=CC=C(N4CCC(CC4)N5CCN(C)CC5)C(OC)=C3)C(=N1)C(N)=O.CCC6=C(NC7CCOCC7)N=C(NC8=CC=C(N9CCC(CC9)N%10CCN(C)CC%10)C(OC)=C8)C(=N6)C(N)=O
InChI
InChIKey=UJOUWHLYTQFUCU-WXXKFALUSA-N
InChI=1S/2C29H44N8O3.C4H4O4/c2*1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36;5-3(6)1-2-4(7)8/h2*5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+
Molecular Formula | C29H44N8O3 |
Molecular Weight | 552.7115 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:53:34 UTC 2023
by
admin
on
Sat Dec 16 08:53:34 UTC 2023
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Record UNII |
5RZZ0Z1GJT
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1967
Created by
admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
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1254053-84-3
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2105823
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76970819
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145372
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5RZZ0Z1GJT
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CHEMBL3301622
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DBSALT002819
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5RZZ0Z1GJT
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BC-52
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100000181875
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DTXSID001027950
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C119665
Created by
admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |