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](O)C1)C2=C(O)C=C(O)C3=C2OC(=CC3=O)C4=C(Cl)C=CC=C4
InChI
InChIKey=LGMSNQNWOCSPIK-LWHGMNCYSA-N
InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1
| 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 |
| 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 15:57:16 UTC 2023
by
admin
on
Fri Dec 15 15:57:16 UTC 2023
|
| Record UNII |
D48MS3A6N9
|
| Record Status |
Validated (UNII)
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| Record Version |
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NCI_THESAURUS |
C2185
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649890
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90998
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D48MS3A6N9
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C1571
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47344
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131740-09-5
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CHEMBL428690
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m5396
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DTXSID6048961
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9910986
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300000044526
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DBSALT000800
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |