Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H29F3N6O3S.C4H6O4 |
| Molecular Weight | 692.706 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.COC1=C(OC)N=NC(=C1)C2=CC=C(CN[C@H]3C[C@@H](O)[C@H](C3)N(C)C4=C5C=C(CC(F)(F)F)SC5=NC=N4)C=C2
InChI
InChIKey=KLYLBNVUZYTSLD-VELQMZPHSA-N
InChI=1S/C27H29F3N6O3S.C4H6O4/c1-36(24-19-10-18(12-27(28,29)30)40-26(19)33-14-32-24)21-8-17(9-22(21)37)31-13-15-4-6-16(7-5-15)20-11-23(38-2)25(39-3)35-34-20;5-3(6)1-2-4(7)8/h4-7,10-11,14,17,21-22,31,37H,8-9,12-13H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t17-,21+,22-;/m1./s1
| Molecular Formula | C27H29F3N6O3S |
| Molecular Weight | 574.618 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| 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 18:56:45 GMT 2023
by
admin
on
Sat Dec 16 18:56:45 GMT 2023
|
| Record UNII |
7J2B2NUJ27
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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2440018-30-2
Created by
admin on Sat Dec 16 18:56:46 GMT 2023 , Edited by admin on Sat Dec 16 18:56:46 GMT 2023
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PRIMARY | |||
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146636323
Created by
admin on Sat Dec 16 18:56:46 GMT 2023 , Edited by admin on Sat Dec 16 18:56:46 GMT 2023
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PRIMARY | PUBCHEM | ||
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7J2B2NUJ27
Created by
admin on Sat Dec 16 18:56:46 GMT 2023 , Edited by admin on Sat Dec 16 18:56:46 GMT 2023
|
PRIMARY |
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