Rosuvastatin tert-butyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36FN3O6S
Molecular Weight	537.644
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Rosuvastatin tert-butyl ester

Structure Search

SMILES

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

InChI

InChIKey=IJHZGLLGELSZAF-OKLSWEBGSA-N

InChI=1S/C26H36FN3O6S/c1-16(2)23-21(13-12-19(31)14-20(32)15-22(33)36-26(3,4)5)24(17-8-10-18(27)11-9-17)29-25(28-23)30(6)37(7,34)35/h8-13,16,19-20,31-32H,14-15H2,1-7H3/b13-12+/t19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H36FN3O6S
Molecular Weight	537.644
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 `Wed Apr 02 20:56:29 GMT 2025` Edited by `admin` on `Wed Apr 02 20:56:29 GMT 2025`
Record UNII	PAA8X5N74H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl rosuvastatin

Preferred Name

English

Rosuvastatin tert-butyl ester

Common Name

English

1,1-Dimethylethyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate

Systematic Name

English

(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl)methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl ester

Systematic Name

English

6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, 1,1-dimethylethyl ester, (3R,5S,6E)-

Systematic Name

English

tert-Butyl (6E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

11478210

Created by admin on Wed Apr 02 20:56:29 GMT 2025 , Edited by admin on Wed Apr 02 20:56:29 GMT 2025

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CAS

355806-00-7

Created by admin on Wed Apr 02 20:56:29 GMT 2025 , Edited by admin on Wed Apr 02 20:56:29 GMT 2025

PRIMARY

FDA UNII

PAA8X5N74H

Created by admin on Wed Apr 02 20:56:29 GMT 2025 , Edited by admin on Wed Apr 02 20:56:29 GMT 2025

PRIMARY

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