(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

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

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)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 `Wed Apr 02 05:16:20 GMT 2025` Edited by `admin` on `Wed Apr 02 05:16:20 GMT 2025`
Record UNII	7DWS9BK2LZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ROSUVASTATIN CALCIUM IMPURITY E [EP IMPURITY]

Preferred Name

English

(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 RELATED COMPOUND B [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

7DWS9BK2LZ

Created by admin on Wed Apr 02 05:16:20 GMT 2025 , Edited by admin on Wed Apr 02 05:16:20 GMT 2025

PRIMARY

PUBCHEM

145714326

Created by admin on Wed Apr 02 05:16:20 GMT 2025 , Edited by admin on Wed Apr 02 05:16:20 GMT 2025

PRIMARY

CAS

2226413-61-0

Created by admin on Wed Apr 02 05:16:20 GMT 2025 , Edited by admin on Wed Apr 02 05:16:20 GMT 2025

PRIMARY

Related Record Type Details


					Q3X3NV27UE

Calcium (3R,5S,E)-7-(4-(4-fluorophenyl)-2-{2-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl]-2-hydroxy-N-methylethylsulfonamido}-6-isopropylpyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate salt (1:2)

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					83MVU38M7Q

Rosuvastatin calcium

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: