Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C21H24ClN2O3.Ca.2H2O |
| Molecular Weight | 851.868 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Ca++].[O-]C(=O)CCCN1CCC(CC1)O[C@@H](C2=CC=C(Cl)C=C2)C3=CC=CC=N3.[O-]C(=O)CCCN4CCC(CC4)O[C@@H](C5=CC=C(Cl)C=C5)C6=CC=CC=N6
InChI
InChIKey=ZSOFIRSHHGJKFO-QJOPACOMSA-L
InChI=1S/2C21H25ClN2O3.Ca.2H2O/c2*22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;;;/h2*1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);;2*1H2/q;;+2;;/p-2/t2*21-;;;/m00.../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H24ClN2O3 |
| Molecular Weight | 387.88 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| 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
Sat Dec 16 18:07:26 UTC 2023
by
admin
on
Sat Dec 16 18:07:26 UTC 2023
|
| Record UNII |
REA3QY4TUX
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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24997095
Created by
admin on Sat Dec 16 18:07:26 UTC 2023 , Edited by admin on Sat Dec 16 18:07:26 UTC 2023
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PRIMARY | |||
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REA3QY4TUX
Created by
admin on Sat Dec 16 18:07:26 UTC 2023 , Edited by admin on Sat Dec 16 18:07:26 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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