Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C27H35F3N4O3S.2BrH |
Molecular Weight | 714.476 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.Br.CCS(=O)(=O)C1=CC=C(CNC(=O)C2=CN=C3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)CC3=C2)N=C1
InChI
InChIKey=JLYWPWGQFDWIFY-ZCLOLVOBSA-N
InChI=1S/C27H35F3N4O3S.2BrH/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30;;/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35);2*1H/t18-,21-,25-;;/m0../s1
Molecular Formula | BrH |
Molecular Weight | 80.912 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C27H35F3N4O3S |
Molecular Weight | 552.652 |
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 11:19:17 GMT 2023
by
admin
on
Sat Dec 16 11:19:17 GMT 2023
|
Record UNII |
QUU102ZI20
|
Record Status |
Validated (UNII)
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Record Version |
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-
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300000005363
Created by
admin on Sat Dec 16 11:19:17 GMT 2023 , Edited by admin on Sat Dec 16 11:19:17 GMT 2023
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2115761-82-3
Created by
admin on Sat Dec 16 11:19:17 GMT 2023 , Edited by admin on Sat Dec 16 11:19:17 GMT 2023
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PRIMARY | |||
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QUU102ZI20
Created by
admin on Sat Dec 16 11:19:17 GMT 2023 , Edited by admin on Sat Dec 16 11:19:17 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |