Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C40H44N4O.2Cl |
Molecular Weight | 667.71 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].[Cl-].[H][C@]12C[C@]3([H])C4=CN5C6=C(C=CC=C6)[C@]78CC[N@@+]9(C)C\C(=C\C)[C@]([H])(C[C@@]79[H])C%10=CN%11C%12=C(C=CC=C%12)[C@@]1(CC[N@@+]2(C)C\C3=C\C)[C@]4%11O[C@@]58%10
InChI
InChIKey=LEXRIQGZROIFTG-WZUZMHFDSA-L
InChI=1S/C40H44N4O.2ClH/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41;;/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b25-5-,26-6-;;/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-;;/m0../s1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C40H44N4O |
Molecular Weight | 596.8036 |
Charge | 2 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 10 |
E/Z Centers | 2 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:23:52 GMT 2023
by
admin
on
Sat Dec 16 09:23:52 GMT 2023
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Record UNII |
503PSW5910
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Record Status |
Validated (UNII)
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Record Version |
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-
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503PSW5910
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73425492
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m3932
Created by
admin on Sat Dec 16 09:23:52 GMT 2023 , Edited by admin on Sat Dec 16 09:23:52 GMT 2023
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PRIMARY | Merck Index | ||
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22273-10-5
Created by
admin on Sat Dec 16 09:23:52 GMT 2023 , Edited by admin on Sat Dec 16 09:23:52 GMT 2023
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