Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H27ClN2.C4H6O4 |
Molecular Weight | 473.004 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CN1CCN(CC1(C)C)[C@@H]2C[C@H](C3=C2C=C(Cl)C=C3)C4=CC=CC=C4
InChI
InChIKey=MMYNXKNHLGJGFF-LZAGWAHOSA-N
InChI=1S/C22H27ClN2.C4H6O4/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21;5-3(6)1-2-4(7)8/h4-10,13,19,21H,11-12,14-15H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t19-,21+;/m0./s1
Molecular Formula | C22H27ClN2 |
Molecular Weight | 354.916 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
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 16:02:25 GMT 2023
by
admin
on
Fri Dec 15 16:02:25 GMT 2023
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Record UNII |
Q7H2LD73H5
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29710
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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Code System | Code | Type | Description | ||
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C152951
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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ZZ-31
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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300000013061
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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PRIMARY | |||
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DTXSID40233618
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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PRIMARY | |||
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11465617
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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PRIMARY | |||
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846061-36-7
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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PRIMARY | |||
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Q7H2LD73H5
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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PRIMARY | |||
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CHEMBL3039528
Created by
admin on Fri Dec 15 16:02:26 GMT 2023 , Edited by admin on Fri Dec 15 16:02:26 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |