(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

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

Structure Search

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

Molecular Formula	C38H44F2N6O8S2
Molecular Weight	814.918
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:11:05 UTC 2023` Edited by `admin` on `Sat Dec 16 15:11:05 UTC 2023`
Record UNII	QFH4RFG7WF
Record Status	`Validated (UNII)`
Record Version

Download

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 UTC 2023 , Edited by admin on Sat Dec 16 15:11:05 UTC 2023

PRIMARY

FDA UNII

QFH4RFG7WF

Created by admin on Sat Dec 16 15:11:05 UTC 2023 , Edited by admin on Sat Dec 16 15:11:05 UTC 2023

PRIMARY

CAS

2226413-62-1

Created by admin on Sat Dec 16 15:11:05 UTC 2023 , Edited by admin on Sat Dec 16 15:11:05 UTC 2023

PRIMARY

Related Record Type Details


					83MVU38M7Q

ROSUVASTATIN CALCIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: