Details
Stereochemistry | RACEMIC |
Molecular Formula | C28H40N2O5.ClH |
Molecular Weight | 521.089 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC1=CC(=CC(OC)=C1OC)C(CCCN(C)CCC2=CC(OC)=C(OC)C=C2)(C#N)C(C)C
InChI
InChIKey=OKCRIUNHEQSXFD-UHFFFAOYSA-N
InChI=1S/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1-8H3;1H
Molecular Formula | C28H40N2O5 |
Molecular Weight | 484.6276 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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 15:12:47 UTC 2023
by
admin
on
Fri Dec 15 15:12:47 UTC 2023
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Record UNII |
VT4VR32A0T
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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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NCI_THESAURUS |
C333
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56949-75-8
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439837
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16662-46-7
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274966
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C83726
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VT4VR32A0T
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240-704-7
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DBSALT002564
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119442
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m5656
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DTXSID2047858
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100000092331
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SUB02309MIG
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Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |