Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C27H25Cl2F6N3O3.H2O |
| Molecular Weight | 1266.82 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CN([C@H](CC1=CC(Cl)=C(Cl)C=C1)\C=C\C(=O)N[C@@H]2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.CN([C@H](CC4=CC(Cl)=C(Cl)C=C4)\C=C\C(=O)N[C@@H]5CCCCNC5=O)C(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI
InChIKey=OONHVPMEYHFEDS-FELXCRFISA-N
InChI=1S/2C27H25Cl2F6N3O3.H2O/c2*1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40;/h2*5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39);1H2/b2*8-6+;/t2*19-,22+;/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 | C27H25Cl2F6N3O3 |
| Molecular Weight | 624.402 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:59:01 GMT 2023
by
admin
on
Fri Dec 15 15:59:01 GMT 2023
|
| Record UNII |
586MK9E85P
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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72941974
Created by
admin on Fri Dec 15 15:59:01 GMT 2023 , Edited by admin on Fri Dec 15 15:59:01 GMT 2023
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PRIMARY | |||
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1035662-71-5
Created by
admin on Fri Dec 15 15:59:01 GMT 2023 , Edited by admin on Fri Dec 15 15:59:01 GMT 2023
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PRIMARY | |||
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586MK9E85P
Created by
admin on Fri Dec 15 15:59:01 GMT 2023 , Edited by admin on Fri Dec 15 15:59:01 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |