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Details

Stereochemistry EPIMERIC
Molecular Formula C38H46F2N6O9S2
Molecular Weight 832.933
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-2-(((2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)-2-HYDROXYETHYL)SULFONYL)(METHYL)AMINO)-6-(1-METHYLETHYL)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID

SMILES

CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=NC(=N1)N(C)S(=O)(=O)CC(O)C2=C(N=C(N=C2C3=CC=C(F)C=C3)N(C)S(C)(=O)=O)C(C)C)C4=CC=C(F)C=C4

InChI

InChIKey=MWYNOQUFUVPRSK-KTLASYKKSA-N
InChI=1S/C38H46F2N6O9S2/c1-21(2)33-29(17-16-27(47)18-28(48)19-31(50)51)35(23-8-12-25(39)13-9-23)43-38(41-33)46(6)57(54,55)20-30(49)32-34(22(3)4)42-37(45(5)56(7,52)53)44-36(32)24-10-14-26(40)15-11-24/h8-17,21-22,27-28,30,47-49H,18-20H2,1-7H3,(H,50,51)/b17-16+/t27-,28-,30?/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H46F2N6O9S2
Molecular Weight 832.933
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:18:39 UTC 2023
Edited
by admin
on Sat Dec 16 15:18:39 UTC 2023
Record UNII
7DWS9BK2LZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-2-(((2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)-2-HYDROXYETHYL)SULFONYL)(METHYL)AMINO)-6-(1-METHYLETHYL)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID
Systematic Name English
6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-2-(((2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)-2-HYDROXYETHYL)SULFONYL)METHYLAMINO)-6-(1-METHYLETHYL)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-
Systematic Name English
ROSUVASTATIN CALCIUM IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
7DWS9BK2LZ
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
PUBCHEM
145714326
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
CAS
2226413-61-0
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP