Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H28ClO6.Na |
| Molecular Weight | 446.897 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].O[C@@H](COC1=CC=CC(Cl)=C1)\C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC([O-])=O
InChI
InChIKey=IFEJLMHZNQJGQU-KXXGZHCCSA-M
InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C78568
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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CFR |
21 CFR 522.460
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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| Code System | Code | Type | Description | ||
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259-439-3
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886SAV9675
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886SAV9675
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DBSALT001672
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m3658
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admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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PRIMARY | Merck Index | ||
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C76897
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DTXSID1046500
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204179
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55028-72-3
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100000166274
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SUB180342
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CHEMBL2220404
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1140666
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17756794
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admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD
