Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H26ClN3O.H2O4S |
Molecular Weight | 433.95 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CCN(CCO)CCCC(C)NC1=CC=NC2=C1C=CC(Cl)=C2
InChI
InChIKey=JCBIVZZPXRZKTI-UHFFFAOYSA-N
InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)
Molecular Formula | C18H26ClN3O |
Molecular Weight | 335.872 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
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
Fri Dec 15 15:13:55 UTC 2023
by
admin
on
Fri Dec 15 15:13:55 UTC 2023
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Record UNII |
8Q2869CNVH
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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EU-Orphan Drug |
EU/3/17/1963
Created by
admin on Fri Dec 15 15:13:55 UTC 2023 , Edited by admin on Fri Dec 15 15:13:55 UTC 2023
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NCI_THESAURUS |
C271
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admin on Fri Dec 15 15:13:55 UTC 2023 , Edited by admin on Fri Dec 15 15:13:55 UTC 2023
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DTXSID1047811
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100000090560
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8Q2869CNVH
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1327000
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DBSALT000096
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153972
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747-36-4
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SUB02587MIG
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12947
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14480-75-2
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admin on Fri Dec 15 15:13:55 UTC 2023 , Edited by admin on Fri Dec 15 15:13:55 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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CHEMBL1535
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212-019-3
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m6127
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C29101
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4375
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8Q2869CNVH
Created by
admin on Fri Dec 15 15:13:55 UTC 2023 , Edited by admin on Fri Dec 15 15:13:55 UTC 2023
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PRIMARY |
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