Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H31N6O5P.C4H4O4 |
| Molecular Weight | 606.5647 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CC(C)OC(=O)C(C)(C)N[P@@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)OC3=CC=CC=C3
InChI
InChIKey=FTBUYHOGDVLBTE-AEMBBCOKSA-N
InChI=1S/C22H31N6O5P.C4H4O4/c1-15(2)32-21(29)22(4,5)27-34(30,33-17-9-7-6-8-10-17)14-31-16(3)11-28-13-26-18-19(23)24-12-25-20(18)28;5-3(6)1-2-4(7)8/h6-10,12-13,15-16H,11,14H2,1-5H3,(H,27,30)(H2,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+/t16-,34-;/m1./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C22H31N6O5P |
| Molecular Weight | 490.4925 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:06:27 UTC 2023
by
admin
on
Sat Dec 16 15:06:27 UTC 2023
|
| Record UNII |
497RW32J2X
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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154572825
Created by
admin on Sat Dec 16 15:06:27 UTC 2023 , Edited by admin on Sat Dec 16 15:06:27 UTC 2023
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1571076-41-9
Created by
admin on Sat Dec 16 15:06:27 UTC 2023 , Edited by admin on Sat Dec 16 15:06:27 UTC 2023
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PRIMARY | |||
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497RW32J2X
Created by
admin on Sat Dec 16 15:06:27 UTC 2023 , Edited by admin on Sat Dec 16 15:06:27 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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