Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H20ClNO5.ClH |
Molecular Weight | 438.301 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1CC[C@H]([C@@H]1CO)C2=C3OC(=CC(=O)C3=C(O)C=C2O)C4=C(Cl)C=CC=C4
InChI
InChIKey=OOVTUOCTLAERQD-OJMBIDBESA-N
InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3;1H/t12-,14+;/m1./s1
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 | C21H20ClNO5 |
Molecular Weight | 401.84 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:33:02 UTC 2023
by
admin
on
Sat Dec 16 01:33:02 UTC 2023
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Record UNII |
DRP53ZDY6H
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C2185
Created by
admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
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23643975
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C141429
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admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
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DRP53ZDY6H
Created by
admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
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100000175668
Created by
admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
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920113-03-7
Created by
admin on Sat Dec 16 01:33:02 UTC 2023 , Edited by admin on Sat Dec 16 01:33:02 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |