ATORVASTATIN CALCIUM ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C33H34FN2O5.Ca
Molecular Weight	1155.342
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATORVASTATIN CALCIUM ANHYDROUS

Structure Search

SMILES

[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C3=CC=C(F)C=C3)C4=CC=CC=C4.CC(C)C5=C(C(=O)NC6=CC=CC=C6)C(=C(N5CC[C@@H](O)C[C@@H](O)CC([O-])=O)C7=CC=C(F)C=C7)C8=CC=CC=C8

InChI

InChIKey=FQCKMBLVYCEXJB-MNSAWQCASA-L

InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C33H34FN2O5
Molecular Weight	557.6319
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:37:28 UTC 2023` Edited by `admin` on `Fri Dec 15 16:37:28 UTC 2023`
Record UNII	C0GEJ5QCSO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATORVASTATIN CALCIUM ANHYDROUS

Common Name

English

1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.GAMMA.-DIHYDROXY-5- (1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, CALCIUM SALT (2:1), (.BETA.R,.GAMMA.R)-

Common Name

English

ATORVASTATIN CALCIUM (ANHYDROUS)

Common Name

English

CALCIUM (.BETA.R,.DELTA.R)-2-(P-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROLE-1-HEPTANOATE (1:2)

Common Name

English

1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-B,D-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, CALCIUM SALT (2:1), (R-(R*,R*))-

Common Name

English

Atorvastatin calcium [WHO-DD]

Common Name

English

NSC-758617

Code

English

ATORVASTATIN CALCIUM SALT ANHYDROUS [MI]

Common Name

English

1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, CALCIUM SALT (2:1), (R-(R*,R*))-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1655