Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H25F2N3OS.C4H6O6 |
| Molecular Weight | 627.656 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC1=C(CCN2CCC(CC2)=C(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4)C(=O)N5C=CSC5=N1
InChI
InChIKey=NJKCCYRWKDAVQS-LREBCSMRSA-N
InChI=1S/C27H25F2N3OS.C4H6O6/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20;5-1(3(7)8)2(6)4(9)10/h2-9,16-17H,10-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C27H25F2N3OS |
| Molecular Weight | 477.569 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:49:29 UTC 2023
by
admin
on
Sat Dec 16 09:49:29 UTC 2023
|
| Record UNII |
01K37QO47K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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13519970
Created by
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93076-39-2
Created by
admin on Sat Dec 16 09:49:29 UTC 2023 , Edited by admin on Sat Dec 16 09:49:29 UTC 2023
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m9633
Created by
admin on Sat Dec 16 09:49:29 UTC 2023 , Edited by admin on Sat Dec 16 09:49:29 UTC 2023
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PRIMARY | Merck Index | ||
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01K37QO47K
Created by
admin on Sat Dec 16 09:49:29 UTC 2023 , Edited by admin on Sat Dec 16 09:49:29 UTC 2023
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PRIMARY |
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