Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H26ClN7O2S.C3H8O2 |
| Molecular Weight | 564.1 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](O)CO.CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CCO)CC4
InChI
InChIKey=YMMMGNIZXYNLTO-HVDRVSQOSA-N
InChI=1S/C22H26ClN7O2S.C3H8O2/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;1-3(5)2-4/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);3-5H,2H2,1H3/t;3-/m.0/s1
| Molecular Formula | C3H8O2 |
| Molecular Weight | 76.0944 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C22H26ClN7O2S |
| Molecular Weight | 488.006 |
| 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 18:52:36 GMT 2023
by
admin
on
Sat Dec 16 18:52:36 GMT 2023
|
| Record UNII |
VN6AX4RHX4
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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VN6AX4RHX4
Created by
admin on Sat Dec 16 18:52:37 GMT 2023 , Edited by admin on Sat Dec 16 18:52:37 GMT 2023
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300000008023
Created by
admin on Sat Dec 16 18:52:37 GMT 2023 , Edited by admin on Sat Dec 16 18:52:37 GMT 2023
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162623573
Created by
admin on Sat Dec 16 18:52:37 GMT 2023 , Edited by admin on Sat Dec 16 18:52:37 GMT 2023
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2499751-67-4
Created by
admin on Sat Dec 16 18:52:37 GMT 2023 , Edited by admin on Sat Dec 16 18:52:37 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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