ATORVASTATIN METHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H37FN2O5
Molecular Weight	572.6664
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C[C@H](O)C[C@H](O)CCN1C(C(C)C)=C(C(=O)NC2=CC=CC=C2)C(=C1C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=IRKGCTGBOBRSMG-VSGBNLITSA-N

InChI=1S/C34H37FN2O5/c1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(39)21-29(40)42-3/h4-17,22,27-28,38-39H,18-21H2,1-3H3,(H,36,41)/t27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H37FN2O5
Molecular Weight	572.6664
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 11:16:59 GMT 2023` Edited by `admin` on `Sat Dec 16 11:16:59 GMT 2023`
Record UNII	2YR32CX5GQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATORVASTATIN METHYL ESTER

Common Name

English

METHYL (3R,5R)-7-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOATE

Systematic Name

English

METHYL (.BETA.R,.DELTA.R)-2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-1-HEPTANOATE

Systematic Name

English

1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, METHYL ESTER, (.BETA.R,.DELTA.R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40435534