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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H44F2N6O8S2
Molecular Weight 814.918
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-2-((((E)-2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)ETHENYL)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)\C=C\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=BALDHTCWMSZJGO-KYNKKRBQSA-N
InChI=1S/C38H44F2N6O8S2/c1-22(2)33-30(17-16-28(47)20-29(48)21-32(49)50)35(24-8-12-26(39)13-9-24)44-38(42-33)46(6)56(53,54)19-18-31-34(23(3)4)41-37(45(5)55(7,51)52)43-36(31)25-10-14-27(40)15-11-25/h8-19,22-23,28-29,47-48H,20-21H2,1-7H3,(H,49,50)/b17-16+,19-18+/t28-,29-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-2-((((E)-2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)ETHENYL)SULFONYL)(METHYL)AMINO)-6-(1-METHYLETHYL)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID
Systematic Name English
ROSUVASTATIN CALCIUM IMPURITY J [EP IMPURITY]
Common Name English
6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-2-((((1E)-2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)ETHENYL)SULFONYL)METHYLAMINO)-6-(1-METHYLETHYL)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
125303897
Created by admin on Sat Dec 16 15:11:05 GMT 2023 , Edited by admin on Sat Dec 16 15:11:05 GMT 2023
PRIMARY
FDA UNII
QFH4RFG7WF
Created by admin on Sat Dec 16 15:11:05 GMT 2023 , Edited by admin on Sat Dec 16 15:11:05 GMT 2023
PRIMARY
CAS
2226413-62-1
Created by admin on Sat Dec 16 15:11:05 GMT 2023 , Edited by admin on Sat Dec 16 15:11:05 GMT 2023
PRIMARY