TERT-BUTYL 2-((4R,6S)-6-((E)-2-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHYLSULFONAMIDO)PYRIMIDIN-5-YL)VINYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H40FN3O6S
Molecular Weight	577.708
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TERT-BUTYL 2-((4R,6S)-6-((E)-2-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHYLSULFONAMIDO)PYRIMIDIN-5-YL)VINYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE

Structure Search

SMILES

CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)N(C)S(C)(=O)=O

InChI

InChIKey=WIFPCEOJTKZGSA-UQECUQMJSA-N

InChI=1S/C29H40FN3O6S/c1-18(2)25-23(15-14-21-16-22(38-29(6,7)37-21)17-24(34)39-28(3,4)5)26(19-10-12-20(30)13-11-19)32-27(31-25)33(8)40(9,35)36/h10-15,18,21-22H,16-17H2,1-9H3/b15-14+/t21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H40FN3O6S
Molecular Weight	577.708
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 `Sat Dec 16 11:01:33 UTC 2023` Edited by `admin` on `Sat Dec 16 11:01:33 UTC 2023`
Record UNII	10S8DBZ6MG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TERT-BUTYL 2-((4R,6S)-6-((E)-2-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHYLSULFONAMIDO)PYRIMIDIN-5-YL)VINYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE

Systematic Name

English

ROSUVASTATIN RELATED COMPOUND C [USP IMPURITY]

Common Name

English

ROSUVASTATIN CALCIUM IMPURITY F [EP IMPURITY]

Common Name

English

1,3-DIOXANE-4-ACETIC ACID, 6-((1E)-2-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)ETHENYL)-2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER, (4R,6S)

Systematic Name

English

ROSUVASTATIN RELATED COMPOUND C [USP-RS]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30951536