Atorvastatin tert-butyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H43FN2O5
Molecular Weight	614.7461
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Atorvastatin tert-butyl ester

Structure Search

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=GCPKKGVOCBYRML-LOYHVIPDSA-N

InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/t29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H43FN2O5
Molecular Weight	614.7461
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 `Mon Mar 31 23:44:30 GMT 2025` Edited by `admin` on `Mon Mar 31 23:44:30 GMT 2025`
Record UNII	EYK6NZK3LW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATORVASTATIN CALCIUM IMPURITY N [EP IMPURITY]

Preferred Name

English

Atorvastatin tert-butyl ester

Common Name

English

(3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid tert-butyl ester Atorvastatin tert-butyl ester

Systematic Name

English

tert-butyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate

Systematic Name

English

1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-?,?-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, (?R,?R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11238911

Created by admin on Mon Mar 31 23:44:30 GMT 2025 , Edited by admin on Mon Mar 31 23:44:30 GMT 2025

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FDA UNII

EYK6NZK3LW

Created by admin on Mon Mar 31 23:44:30 GMT 2025 , Edited by admin on Mon Mar 31 23:44:30 GMT 2025

PRIMARY

CAS

134395-00-9

Created by admin on Mon Mar 31 23:44:30 GMT 2025 , Edited by admin on Mon Mar 31 23:44:30 GMT 2025

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EPA CompTox

DTXSID30459683

Created by admin on Mon Mar 31 23:44:30 GMT 2025 , Edited by admin on Mon Mar 31 23:44:30 GMT 2025

PRIMARY

Related Record Type Details


					48A5M73Z4Q

ATORVASTATIN CALCIUM TRIHYDRATE

PARENT -> IMPURITY

Amount: