Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C22H22ClFNO5.Ca |
| Molecular Weight | 909.808 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC(C)O[C@@H](CC1=CC=CC(OC[C@H](F)COC2=CC=C(Cl)C=C2C#N)=C1)C([O-])=O.CC(C)O[C@@H](CC3=CC=CC(OC[C@H](F)COC4=CC=C(Cl)C=C4C#N)=C3)C([O-])=O
InChI
InChIKey=QBPOEQDRFVFZRI-ATAMATRTSA-L
InChI=1S/2C22H23ClFNO5.Ca/c2*1-14(2)30-21(22(26)27)9-15-4-3-5-19(8-15)28-12-18(24)13-29-20-7-6-17(23)10-16(20)11-25;/h2*3-8,10,14,18,21H,9,12-13H2,1-2H3,(H,26,27);/q;;+2/p-2/t2*18-,21-;/m00./s1
Approval Year
| Name | Type | Language | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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11949481
Created by
admin on Mon Mar 31 23:42:33 GMT 2025 , Edited by admin on Mon Mar 31 23:42:33 GMT 2025
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PRIMARY | |||
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913722-93-7
Created by
admin on Mon Mar 31 23:42:33 GMT 2025 , Edited by admin on Mon Mar 31 23:42:33 GMT 2025
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PRIMARY | |||
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3W6DUV434I
Created by
admin on Mon Mar 31 23:42:33 GMT 2025 , Edited by admin on Mon Mar 31 23:42:33 GMT 2025
|
PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
