Details
Stereochemistry | RACEMIC |
Molecular Formula | C26H29N3O6.ClH |
Molecular Weight | 515.986 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC(=O)C1=C(C)NC(C)=C(C1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OCCN(C)CC3=CC=CC=C3
InChI
InChIKey=AIKVCUNQWYTVTO-UHFFFAOYSA-N
InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H
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 |
Molecular Formula | C26H29N3O6 |
Molecular Weight | 479.525 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:01:41 UTC 2023
by
admin
on
Fri Dec 15 15:01:41 UTC 2023
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Record UNII |
K5BC5011K3
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Record Status |
Validated (UNII)
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C333
Created by
admin on Fri Dec 15 15:01:41 UTC 2023 , Edited by admin on Fri Dec 15 15:01:41 UTC 2023
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Code System | Code | Type | Description | ||
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C29840
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54527-84-3
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m7850
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admin on Fri Dec 15 15:01:41 UTC 2023 , Edited by admin on Fri Dec 15 15:01:41 UTC 2023
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757855
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SUB03420MIG
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K5BC5011K3
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DBSALT000499
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1463224
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235230
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DTXSID9046992
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41114
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100000089967
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K5BC5011K3
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259-198-4
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CHEMBL1484
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admin on Fri Dec 15 15:01:41 UTC 2023 , Edited by admin on Fri Dec 15 15:01:41 UTC 2023
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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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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT |
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ACTIVE MOIETY |