Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H28N4O.C10H16O4S |
Molecular Weight | 644.823 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2.CO[C@H]3CC[C@@]4(CC5=C(C=C(C=C5)C6=CC(=CN=C6)C#CC)[C@@]47N=C(C)C(N)=N7)CC3
InChI
InChIKey=PEOILZBROWEGCC-FUGZSDNTSA-N
InChI=1S/C26H28N4O.C10H16O4S/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30);7H,3-6H2,1-2H3,(H,12,13,14)/t22-,25-,26-;7-,10-/m01/s1
Molecular Formula | C10H16O4S |
Molecular Weight | 232.297 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C26H28N4O |
Molecular Weight | 412.5267 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:31:47 UTC 2023
by
admin
on
Sat Dec 16 08:31:47 UTC 2023
|
Record UNII |
6FD2V052GI
|
Record Status |
Validated (UNII)
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Record Version |
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-
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100000174927
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DE-77
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C166934
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6FD2V052GI
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1522418-41-2
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72696794
Created by
admin on Sat Dec 16 08:31:47 UTC 2023 , Edited by admin on Sat Dec 16 08:31:47 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |