tert-Butyl 2-((4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H23NO4
Molecular Weight	269.3367
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 2-((4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Structure Search

SMILES

CC(C)(C)OC(=O)C[C@@H]1C[C@@H](CC#N)OC(C)(C)O1

InChI

InChIKey=DPNRMEJBKMQHMC-MNOVXSKESA-N

InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H23NO4
Molecular Weight	269.3367
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:02:12 GMT 2023` Edited by `admin` on `Sat Dec 16 20:02:12 GMT 2023`
Record UNII	LDW8N7SC44
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl 2-((4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Systematic Name

English

1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6R)-

Systematic Name

English

1,1-Dimethylethyl (4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

Systematic Name

English

Atorvastatin Acetonide t-Butyl Ester Side Chain (4S,6R)-Isomer

Common Name

English

(4S,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester

Systematic Name

English

Atorvastatin Impurity 14

Common Name

English

1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S-trans)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

46781086

Created by admin on Sat Dec 16 20:02:12 GMT 2023 , Edited by admin on Sat Dec 16 20:02:12 GMT 2023

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FDA UNII

LDW8N7SC44

Created by admin on Sat Dec 16 20:02:12 GMT 2023 , Edited by admin on Sat Dec 16 20:02:12 GMT 2023

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CAS

186508-95-2

Created by admin on Sat Dec 16 20:02:12 GMT 2023 , Edited by admin on Sat Dec 16 20:02:12 GMT 2023

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