ANACETRAPIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H25F10NO3
Molecular Weight	637.5084
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ANACETRAPIB

Structure Search

SMILES

COC1=CC(F)=C(C=C1C2=C(CN3[C@@H](C)[C@H](OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C=C(C=C2)C(F)(F)F)C(C)C

InChI

InChIKey=MZZLGJHLQGUVPN-HAWMADMCSA-N

InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H25F10NO3
Molecular Weight	637.5084
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 `Fri Dec 15 16:22:20 UTC 2023` Edited by `admin` on `Fri Dec 15 16:22:20 UTC 2023`
Record UNII	P7T269PR6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANACETRAPIB

Official Name

English

MK0859

Code

English

anacetrapib [INN]

Common Name

English

2-OXAZOLIDINONE, 5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-METHOXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-, (4S,5R)-

Common Name

English

ANACETRAPIB [USAN]

Common Name

English

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-METHOXY-5'-(PROPAN-2-YL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-1,3-OXAZOLIDIN-2-ONE

Common Name

English

ANACETRAPIB [MART.]

Common Name

English

Anacetrapib [WHO-DD]

Common Name

English

MK-0859

Code

English

ANACETRAPIB [JAN]

Common Name

English

ANACETRAPIB [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

NCI_THESAURUS

C29703

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C75251

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

SMS_ID

100000128110

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID90236452

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

EVMPD

SUB34824

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

WIKIPEDIA

ANACETRAPIB

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

MESH

C530884

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

DRUG BANK

DB06630

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

PUBCHEM

11556427

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

INN

8926

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

CAS

875446-37-0

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

ChEMBL

CHEMBL1800807

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

USAN

TT-18

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

MERCK INDEX

m1885

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

Merck Index

FDA UNII

P7T269PR6S

Created by admin on Fri Dec 15 16:22:20 UTC 2023 , Edited by admin on Fri Dec 15 16:22:20 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					B3NS2A8BJ7

CHOLESTERYL ESTER TRANSFER PROTEIN

TARGET -> INHIBITOR

Interaction Type:

SELECTIVE

Related Record Type Details


					204N3XHI80

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2',3'-DIHYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					LJ3ZB1DZD7

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-HYDROXY-1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					K9V5F9ZV6H

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					LJ3ZB1DZD7

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-HYDROXY-1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					204N3XHI80

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2',3'-DIHYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					K9V5F9ZV6H

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:

Related Record Type Details


					P7T269PR6S

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION