Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H24N4O2S.C4H6O4 |
Molecular Weight | 526.605 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC3=CC=C(OC4=NC5=NC=CC=C5S4)C=C3
InChI
InChIKey=ASCCNTPYAKLKGG-WBKVAJJRSA-N
InChI=1S/C22H24N4O2S.C4H6O4/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21;5-3(6)1-2-4(7)8/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27);1-2H2,(H,5,6)(H,7,8)/t16-,17+,18-;
Molecular Formula | C22H24N4O2S |
Molecular Weight | 408.517 |
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 14:52:21 UTC 2023
by
admin
on
Sat Dec 16 14:52:21 UTC 2023
|
Record UNII |
J43PP874SF
|
Record Status |
Validated (UNII)
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Record Version |
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-
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J43PP874SF
Created by
admin on Sat Dec 16 14:52:21 UTC 2023 , Edited by admin on Sat Dec 16 14:52:21 UTC 2023
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67201213
Created by
admin on Sat Dec 16 14:52:21 UTC 2023 , Edited by admin on Sat Dec 16 14:52:21 UTC 2023
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1191044-47-9
Created by
admin on Sat Dec 16 14:52:21 UTC 2023 , Edited by admin on Sat Dec 16 14:52:21 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |