Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C34H34N8O2.2CH4O3S |
| Molecular Weight | 778.897 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.CC1=CC=CC2=NC3=CC=CC(C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(C)=C6N=C45)=C3N=C12
InChI
InChIKey=QQMNOGRCNGZKSO-UHFFFAOYSA-N
InChI=1S/C34H34N8O2.2CH4O3S/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28;2*1-5(2,3)4/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44);2*1H3,(H,2,3,4)
| Molecular Formula | C34H34N8O2 |
| Molecular Weight | 586.6862 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| 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
Mon Mar 31 23:42:48 GMT 2025
by
admin
on
Mon Mar 31 23:42:48 GMT 2025
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| Record UNII |
9XT9MUJ3NX
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| Record Status |
Validated (UNII)
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| Record Version |
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9XT9MUJ3NX
Created by
admin on Mon Mar 31 23:42:48 GMT 2025 , Edited by admin on Mon Mar 31 23:42:48 GMT 2025
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635684-95-6
Created by
admin on Mon Mar 31 23:42:48 GMT 2025 , Edited by admin on Mon Mar 31 23:42:48 GMT 2025
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157010672
Created by
admin on Mon Mar 31 23:42:48 GMT 2025 , Edited by admin on Mon Mar 31 23:42:48 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
MLN944 dimesylate salt was synthesized at Auckland Cancer Society Research Centre, University of Auckland, Auckland, New Zealand.
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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