Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H19N7O2.C3H6O3 |
| Molecular Weight | 455.4671 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](O)C(O)=O.COC1=CC=CC(OCCCN)=C1C2=CC(NC3=CN=C(C=N3)C#N)=NN2
InChI
InChIKey=BQURYWIMQXBZFL-WNQIDUERSA-N
InChI=1S/C18H19N7O2.C3H6O3/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17;1-2(4)3(5)6/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25);2,4H,1H3,(H,5,6)/t;2-/m.0/s1
| Molecular Formula | C18H19N7O2 |
| Molecular Weight | 365.3892 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C3H6O3 |
| Molecular Weight | 90.0779 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:49:09 UTC 2023
by
admin
on
Sat Dec 16 18:49:09 UTC 2023
|
| Record UNII |
7PV3ZN32VG
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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7PV3ZN32VG
Created by
admin on Sat Dec 16 18:49:09 UTC 2023 , Edited by admin on Sat Dec 16 18:49:09 UTC 2023
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165412107
Created by
admin on Sat Dec 16 18:49:09 UTC 2023 , Edited by admin on Sat Dec 16 18:49:09 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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